data_2eje_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 2eje _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 ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 84' ' ' LEU . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 30' ' ' PHE . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 28' ' ' ASP . 2.4 t30 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 26' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 38' ' ' ILE . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 34' ' ' PHE . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.477 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 38' ' ' ILE . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG11 ' CE1' ' A' ' 48' ' ' TYR . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 51' ' ' ILE . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 HG23 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.428 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 22' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CD2' HG23 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' CD1' ' HB1' ' A' ' 19' ' ' ALA . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 87' ' ' ALA . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 26' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 38' ' ' ILE . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.525 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.412 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 19' ' ' ALA . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 84' ' ' LEU . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' HG13 ' A' ' 26' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 38' ' ' ILE . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.539 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.468 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 48' ' ' TYR . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 46' ' ' VAL . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' ARG . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 91' ' ' LYS . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' ILE . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 ' CD1' ' A' ' 84' ' ' LEU . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG13 ' CE2' ' A' ' 30' ' ' PHE . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 26' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 38' ' ' ILE . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.477 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 38' ' ' ILE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 48' ' ' TYR . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CD1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 60' ' ' VAL . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.415 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.476 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD1' HD21 ' A' ' 22' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 84' ' ' LEU . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' CD1' ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.53 ' CE ' ' CD1' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CE2' HD12 ' A' ' 38' ' ' ILE . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.55 HD12 ' CE2' ' A' ' 34' ' ' PHE . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.458 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.504 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' SER . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' A' ' 81' ' ' ARG . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 26' ' ' VAL . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.455 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CD1' HG13 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.489 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CG ' HD23 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD23 ' CG ' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.412 ' CG2' ' NH1' ' A' ' 81' ' ' ARG . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' ARG . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 22' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD2' HG23 ' A' ' 60' ' ' VAL . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 38' ' ' ILE . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PHE . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.52 HG13 ' CD1' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CD1' HG13 ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 51' ' ' ILE . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' CG ' HD23 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' ARG . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.401 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 84' ' ' LEU . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 26' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 45' ' ' LYS . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.488 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 38' ' ' ILE . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 51' ' ' ILE . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 22' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.467 ' OG ' ' CD1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD2' HG21 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 84' ' ' LEU . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 HD21 ' N ' ' A' ' 28' ' ' ASP . 1.9 t30 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 38' ' ' ILE . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 38' ' ' ILE . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE1' HG13 ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 51' ' ' ILE . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 92' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CD2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.439 ' CG2' HD11 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.439 HD11 ' CG2' ' A' ' 93' ' ' THR . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 84' ' ' LEU . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 38' ' ' ILE . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 38' ' ' ILE . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 48' ' ' TYR . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 46' ' ' VAL . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 58' ' ' VAL . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.428 ' HA ' ' CE ' ' A' ' 63' ' ' MET . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 19' ' ' ALA . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 22' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.41 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 87' ' ' ALA . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 HD22 ' CD1' ' A' ' 84' ' ' LEU . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CE ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 38' ' ' ILE . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 34' ' ' PHE . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.473 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 31' ' ' SER . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.409 ' HB ' ' CE1' ' A' ' 48' ' ' TYR . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.433 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 60' ' ' VAL . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 ' CD2' ' A' ' 92' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CD2' HG22 ' A' ' 60' ' ' VAL . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 38' ' ' ILE . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 38' ' ' ILE . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' HG13 ' A' ' 53' ' ' ILE . 7.5 p30 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 60' ' ' VAL . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.547 HG21 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG2' ' CB ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.418 ' CB ' ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CG ' HD22 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' ALA . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.414 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD2' HG21 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.479 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 38' ' ' ILE . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG2' HD12 ' A' ' 38' ' ' ILE . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.498 ' N ' ' CG2' ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 51' ' ' ILE . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.479 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ARG . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' HD23 ' A' ' 22' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 HG21 ' CB ' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' N ' ' CG2' ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' CE2' ' A' ' 92' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE2' HG23 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.461 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HD2' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 90' ' ' ILE . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE2' HG23 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 84' ' ' LEU . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 20' ' ' ARG . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.564 HG13 ' CE2' ' A' ' 30' ' ' PHE . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 44' ' ' VAL . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 38' ' ' ILE . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 48' ' ' TYR . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 46' ' ' VAL . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' ' CG2' ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 51' ' ' ILE . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.408 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.457 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD1' HD23 ' A' ' 22' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' ALA . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 84' ' ' LEU . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' HG11 ' A' ' 26' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 38' ' ' ILE . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' CD1' ' A' ' 48' ' ' TYR . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 46' ' ' VAL . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 53' ' ' ILE . 5.8 p30 -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG22 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CE2' HG22 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD1' HD21 ' A' ' 22' ' ' LEU . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 60' ' ' VAL . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' HG ' ' CE ' ' A' ' 18' ' ' LYS . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG12 ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 83' ' ' ILE . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 48' ' ' TYR . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CD1' HG13 ' A' ' 46' ' ' VAL . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' N ' HG13 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.416 ' CB ' HG22 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 29' ' ' LEU . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 87' ' ' ALA . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 84' ' ' LEU . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' HG13 ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' A' ' 38' ' ' ILE . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 48' ' ' TYR . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 46' ' ' VAL . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 58' ' ' VAL . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 51' ' ' ILE . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 HG23 ' CD2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' HD23 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 HD23 ' CG ' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.423 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 22' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.437 HG21 ' CD1' ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' CD ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 HG12 ' CE2' ' A' ' 30' ' ' PHE . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' A' ' 26' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 38' ' ' ILE . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.612 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' CD ' ' A' ' 15' ' ' LYS . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' ALA . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.451 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' HG21 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -139.11 153.93 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -70.79 138.99 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 -163.84 16.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -93.74 152.27 19.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 -176.19 47.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.73 88.06 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.5 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -57.55 -38.47 74.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.47 -37.39 70.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' LEU . 53.1 mmt-85 -81.34 -42.13 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' ARG . 60.6 mt -55.52 -104.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.2 t 78.48 -71.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 84' ' ' LEU . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 30' ' ' PHE . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 28' ' ' ASP . 2.4 t30 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 26' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 38' ' ' ILE . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 34' ' ' PHE . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.477 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 38' ' ' ILE . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG11 ' CE1' ' A' ' 48' ' ' TYR . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 51' ' ' ILE . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 HG23 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.428 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 22' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CD2' HG23 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 -153.37 133.99 7.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.13 42.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.41 163.05 71.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 76.71 3.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.01 -14.41 2.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.0 tp -52.44 160.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.8 t -135.93 146.3 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 104' ' ' ASN . 5.8 mt -130.92 152.01 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 103' ' ' ILE . 8.6 t30 73.19 173.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.7 m120 63.31 -175.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.89 154.44 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -174.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.05 118.49 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -124.4 -172.94 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.09 67.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.4 p -151.35 -87.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -47.52 77.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -138.29 154.2 49.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 65.82 143.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.9 161.57 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 p -177.19 155.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.09 157.5 37.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.25 105.49 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.04 156.71 6.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.83 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -58.23 -35.28 71.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -54.69 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.66 -41.44 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.38 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t 76.6 -71.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.943 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' CD1' ' HB1' ' A' ' 19' ' ' ALA . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 87' ' ' ALA . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -156.42 133.74 6.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.3 35.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.497 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.9 m-85 -77.03 163.56 64.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.93 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.25 -13.02 2.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 98' ' ' PHE . 23.6 tp -62.55 153.66 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -138.43 149.94 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.9 mt -118.92 56.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -105.63 151.48 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' N ' HD21 ' A' ' 104' ' ' ASN . 0.3 OUTLIER -64.59 75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' ASN . 33.9 mt-30 -129.06 122.22 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 5.8 mp -57.54 174.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 61.9 t -154.24 89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.1 121.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.91 177.4 0.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.35 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t 40.32 35.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.1 p 177.57 38.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 61.9 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.731 . . . . 0.0 110.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.5 158.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.8 -146.96 5.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -176.29 -63.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m 61.83 171.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 165.19 13.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.85 -49.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -114.53 145.92 41.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -68.93 -41.36 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -51.0 11.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 5.6 mtt-85 -64.48 -50.37 67.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 12' ' ' ARG . 65.7 mt -50.27 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t 75.88 -71.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 26' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 38' ' ' ILE . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.525 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.412 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 19' ' ' ALA . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 131.36 20.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.05 42.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.9 m-85 -78.68 163.65 59.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.35 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.762 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.84 -5.39 5.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 98' ' ' PHE . 28.4 tp -67.07 150.08 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -142.57 159.13 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.7 mt -115.37 47.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.87 133.93 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 105' ' ' ASN . 0.0 OUTLIER -45.27 145.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' LEU . 2.5 mt-30 174.35 155.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER 44.67 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 12.3 t 40.18 72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.23 111.11 2.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.772 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -90.14 39.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 p -179.19 41.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -142.5 -58.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -135.04 170.69 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.6 117.54 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.04 166.31 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -177.97 -58.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 103.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -176.75 -179.06 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.25 157.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -57.74 -34.38 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.61 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' LEU . 89.8 mtt180 -66.8 -41.31 87.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' SER . 64.8 mt -53.14 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.2 t 81.42 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 84' ' ' LEU . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' HG13 ' A' ' 26' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 38' ' ' ILE . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.539 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.468 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 48' ' ' TYR . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 46' ' ' VAL . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' ARG . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 91' ' ' LYS . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' ILE . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -139.23 133.99 16.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.29 35.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -83.68 165.93 37.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 78.32 2.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.82 -14.02 2.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 23.3 tp -65.84 157.01 31.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 101' ' ' LEU . 90.2 t -155.28 146.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' ASN . 18.8 mt -115.08 -75.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 105' ' ' ASN . 1.5 t30 68.45 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER 161.9 -52.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.541 ' H ' ' ND2' ' A' ' 105' ' ' ASN . 1.1 pt20 -176.59 178.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.21 174.23 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -149.15 59.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.79 83.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -64.24 176.99 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.72 2.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.89 106.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.11 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p 54.44 74.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -50.23 146.92 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.92 123.86 0.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -174.32 140.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -128.74 -59.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.34 179.33 22.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 178.75 126.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.04 100.43 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -64.91 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.38 -47.62 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 13' ' ' LEU . 2.4 ttp180 -77.16 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' ARG . 71.8 mt -41.59 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 66.21 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 ' CD1' ' A' ' 84' ' ' LEU . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG13 ' CE2' ' A' ' 30' ' ' PHE . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 26' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 38' ' ' ILE . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.477 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 38' ' ' ILE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 48' ' ' TYR . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CD1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.476 HG23 ' CZ ' ' A' ' 98' ' ' PHE . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 60' ' ' VAL . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.415 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD1' HD21 ' A' ' 22' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -136.89 130.85 17.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.489 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.7 m-85 -92.07 164.51 23.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 86.27 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.27 -6.15 5.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' A' ' 98' ' ' PHE . 24.1 tp -66.93 150.56 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.08 160.11 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 39.5 mt -120.19 -68.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.9 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 1.6 p30 -85.13 151.0 24.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 2.2 mm-40 162.87 106.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.81 -170.09 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.9 142.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 m -83.79 151.97 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.49 99.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.99 25.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 p -40.09 -60.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.47 -61.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -171.32 166.04 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.05 167.44 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -55.49 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -42.19 -54.13 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -133.19 136.58 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.4 57.64 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 175.49 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.68 49.64 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -68.54 -28.57 67.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -62.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -51.34 -56.59 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.9 mt -38.09 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -126.3 -69.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 84' ' ' LEU . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' CD1' ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.53 ' CE ' ' CD1' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CE2' HD12 ' A' ' 38' ' ' ILE . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.55 HD12 ' CE2' ' A' ' 34' ' ' PHE . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.458 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.504 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' SER . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.4 132.51 20.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.66 42.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -78.52 162.48 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 78.22 2.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.8 -10.9 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.7 tp -47.89 163.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 103' ' ' ILE . 59.4 t -137.6 145.8 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' HG13 ' A' ' 102' ' ' VAL . 5.8 mt -127.94 153.56 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' N ' HG21 ' A' ' 103' ' ' ILE . 0.7 OUTLIER 60.94 174.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -67.64 -161.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER 59.48 172.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 108' ' ' VAL . 1.9 tt 60.21 149.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.41 ' N ' HD23 ' A' ' 107' ' ' LEU . 73.3 t -42.4 134.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.1 m -155.63 126.35 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -40.75 101.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.78 5.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.82 35.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.19 47.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 111.25 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -96.83 86.99 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 107.43 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.66 94.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.49 150.7 44.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.72 -131.56 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -125.74 103.2 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -176.81 119.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -67.26 -41.74 85.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -37.96 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -79.22 -52.15 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.9 mt -41.08 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t 63.78 -92.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' A' ' 81' ' ' ARG . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 26' ' ' VAL . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.455 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CD1' HG13 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.489 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CG ' HD23 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD23 ' CG ' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.412 ' CG2' ' NH1' ' A' ' 81' ' ' ARG . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' ARG . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 22' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD2' HG23 ' A' ' 60' ' ' VAL . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -134.01 133.21 21.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.22 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -80.38 163.43 56.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.61 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.5 -5.6 5.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 33.6 tp -60.15 159.28 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 101' ' ' LEU . 84.1 t -153.55 148.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 31.5 mt -123.69 57.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.62 148.59 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -55.33 156.35 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 1.4 mm-40 164.63 117.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -51.01 172.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.02 124.47 67.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 p -63.82 125.32 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.04 65.51 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -75.01 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -38.23 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.35 42.78 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 166.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -173.98 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.34 -148.87 6.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -168.21 -62.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 0.807 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -178.74 129.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.95 -107.92 2.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.77 97.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.5 100.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -57.89 -49.68 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -52.54 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.7 mtt180 -68.83 -58.98 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' ARG . 68.0 mt -43.51 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t 68.07 -75.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 38' ' ' ILE . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PHE . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.52 HG13 ' CD1' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CD1' HG13 ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' N ' ' CG2' ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 51' ' ' ILE . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' CG ' HD23 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' ARG . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.401 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -138.91 133.36 16.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 159.2 42.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 101' ' ' LEU . 1.7 m-85 -87.21 167.1 22.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.51 2.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.4 -12.47 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 98' ' ' PHE . 23.3 tp -68.17 146.39 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.95 146.66 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mt -124.62 53.16 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.475 ' ND2' ' CG ' ' A' ' 105' ' ' ASN . 10.3 t30 -178.92 165.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.475 ' CG ' ' ND2' ' A' ' 104' ' ' ASN . 23.4 m120 62.09 46.62 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 25.3 pt20 44.6 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -109.73 -175.49 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.78 106.17 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 p -178.65 167.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.67 72.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.9 m -134.2 -53.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 p -92.37 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -177.24 154.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -161.36 143.09 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.28 114.61 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -146.23 120.8 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -156.05 137.45 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 101.24 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.73 142.05 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -132.87 126.3 31.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -66.56 -29.35 69.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -37.22 62.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -83.56 -41.75 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.65 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t 63.77 -93.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 84' ' ' LEU . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 26' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 45' ' ' LYS . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.488 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 38' ' ' ILE . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 51' ' ' ILE . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 22' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.467 ' OG ' ' CD1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD2' HG21 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.97 135.05 19.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.31 29.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.06 163.29 56.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 79.42 2.67 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.29 -9.83 4.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.8 tp -53.73 162.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.4 t -143.98 147.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.6 mt -119.43 55.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -149.8 160.01 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' ND2' ' N ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -44.08 -43.16 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' N ' ' ND2' ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.77 93.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.6 168.79 11.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 109' ' ' SER . 53.3 t -121.02 82.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.4 OUTLIER 160.07 -58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.49 154.13 5.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 72.23 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -65.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.9 t -79.26 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -152.22 85.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -145.25 158.43 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.78 123.65 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.18 120.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 152.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -116.69 99.51 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -174.21 132.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -58.45 -35.63 72.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.99 -51.63 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -65.66 -42.89 90.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' LYS . 33.6 mt -55.05 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.35 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 84' ' ' LEU . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 HD21 ' N ' ' A' ' 28' ' ' ASP . 1.9 t30 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 38' ' ' ILE . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 38' ' ' ILE . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE1' HG13 ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 51' ' ' ILE . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 92' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CD2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.439 ' CG2' HD11 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.439 HD11 ' CG2' ' A' ' 93' ' ' THR . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -144.95 133.06 10.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 168.54 24.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HD23 ' A' ' 101' ' ' LEU . 2.1 m-85 -84.35 166.18 34.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.52 0.32 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.583 1.177 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 98' ' ' PHE . 24.9 tp -76.48 160.41 29.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -153.22 148.12 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.7 mt -107.48 64.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -151.66 145.35 25.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.64 147.43 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.58 28.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -58.7 139.72 55.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' HB ' ' CD2' ' A' ' 107' ' ' LEU . 39.3 t 44.51 92.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.26 147.78 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.91 101.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.11 6.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -80.03 60.19 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.67 -58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.022 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -40.21 -58.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 63.71 123.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 162.1 24.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 104.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -123.29 139.64 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.43 159.29 1.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.33 168.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.59 147.8 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -63.8 -41.25 97.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.19 -49.58 22.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -65.36 -46.84 78.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 14' ' ' SER . 69.7 mt -51.32 -99.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.5 t 78.07 -71.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 84' ' ' LEU . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 38' ' ' ILE . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 38' ' ' ILE . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 48' ' ' TYR . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 46' ' ' VAL . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 58' ' ' VAL . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.428 ' HA ' ' CE ' ' A' ' 63' ' ' MET . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 19' ' ' ALA . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 22' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 87' ' ' ALA . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -138.1 133.57 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.93 39.72 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.3 m-85 -81.64 163.51 53.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.83 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.88 -12.56 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 98' ' ' PHE . 25.3 tp -61.47 160.41 11.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.1 t -152.79 148.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 49.5 mt -115.73 50.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -95.09 119.35 33.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -53.12 -173.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LEU . 4.2 mm-40 41.01 48.35 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' GLN . 0.4 OUTLIER 38.98 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.41 82.73 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -42.96 137.51 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.25 -158.56 10.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -59.66 -53.79 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -67.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.04 -59.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.39 132.51 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.9 103.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.28 131.65 55.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.73 -179.64 37.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -121.03 96.18 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.66 104.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -67.66 -28.73 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -32.65 65.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -89.96 -41.17 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 17' ' ' GLU . 82.4 mt -48.38 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t 63.65 -88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 HD22 ' CD1' ' A' ' 84' ' ' LEU . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CE ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 38' ' ' ILE . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 34' ' ' PHE . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.473 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 31' ' ' SER . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.409 ' HB ' ' CE1' ' A' ' 48' ' ' TYR . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.433 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 60' ' ' VAL . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 ' CD2' ' A' ' 92' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CD2' HG22 ' A' ' 60' ' ' VAL . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -161.04 133.98 4.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.4 12.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.0 m-85 -91.56 164.51 24.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.63 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.79 -7.75 4.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.527 HD22 ' CD2' ' A' ' 98' ' ' PHE . 26.7 tp -67.7 155.67 38.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.8 t -135.76 161.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 104' ' ' ASN . 6.7 mt -123.78 157.67 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' N ' HG22 ' A' ' 103' ' ' ILE . 0.5 OUTLIER 66.92 163.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -60.17 -46.66 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -58.52 119.79 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -119.95 178.81 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.6 t -114.85 117.79 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.7 t 63.33 111.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 152.39 97.25 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 m -47.33 -62.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.4 p -114.29 81.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.23 149.92 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.42 104.25 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.07 -61.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m 53.91 103.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.75 83.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -157.93 128.02 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.13 108.47 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.46 -41.86 79.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -43.77 -37.36 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -76.54 -45.2 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 4.6 mt -42.54 105.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -122.93 -69.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 38' ' ' ILE . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 38' ' ' ILE . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' HG13 ' A' ' 53' ' ' ILE . 7.5 p30 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 60' ' ' VAL . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG21 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG2' ' CB ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.418 ' CB ' ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CG ' HD22 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' ALA . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.414 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD2' HG21 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -140.68 129.85 13.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.39 42.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.5 m-85 -78.87 165.7 47.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 83.16 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.0 -2.27 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 98' ' ' PHE . 38.5 tp -73.42 161.07 30.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.425 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 22.2 t -132.48 162.46 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.2 mm -97.73 -52.63 8.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 5.2 p-10 -116.46 161.73 18.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -41.38 153.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 177.7 78.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.33 177.17 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.7 t 43.6 78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -108.12 111.3 23.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -126.85 172.27 18.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -151.24 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -91.55 -58.57 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.65 126.11 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -161.89 144.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.07 145.26 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.29 146.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.42 168.47 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.93 -115.72 2.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 56.38 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.75 147.37 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.93 -35.79 82.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.55 14.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -87.08 -43.75 12.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -48.61 -85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t 63.85 -96.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 38' ' ' ILE . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG2' HD12 ' A' ' 38' ' ' ILE . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 58' ' ' VAL . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.498 ' N ' ' CG2' ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 51' ' ' ILE . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 HG12 ' CB ' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ARG . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' HD23 ' A' ' 22' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 HG21 ' CB ' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 -149.0 134.81 9.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 163.65 35.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 101' ' ' LEU . 2.7 m-85 -76.49 164.72 57.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 81.02 2.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.17 -8.88 4.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' A' ' 98' ' ' PHE . 27.1 tp -67.19 157.9 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.3 t -141.3 146.93 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.4 ' C ' ' OD1' ' A' ' 104' ' ' ASN . 26.0 mt -116.23 52.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.512 HD21 ' ND2' ' A' ' 105' ' ' ASN . 0.9 OUTLIER 172.86 178.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.512 ' ND2' HD21 ' A' ' 104' ' ' ASN . 14.1 m-20 47.2 -163.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 63.34 32.27 14.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 109' ' ' SER . 0.8 OUTLIER -56.91 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 109' ' ' SER . 2.5 t 64.71 -76.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 1.0 OUTLIER 86.44 170.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.95 153.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -49.39 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.73 79.68 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.047 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 45.49 80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.75 123.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -88.39 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.57 85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.955 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.9 162.99 30.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.94 69.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -158.79 150.04 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.42 104.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.35 -25.91 68.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.62 -54.17 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 8.1 mmt180 -62.55 -43.13 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 14' ' ' SER . 58.3 mt -54.63 -103.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.9 t 79.52 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' N ' ' CG2' ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.548 HG21 ' CZ ' ' A' ' 98' ' ' PHE . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' CE2' ' A' ' 92' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE2' HG23 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.461 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HD2' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 90' ' ' ILE . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE2' HG23 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -137.09 132.55 18.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.58 33.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.548 ' CZ ' HG21 ' A' ' 58' ' ' VAL . 5.2 m-85 -91.07 163.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 86.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.41 -12.19 5.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 98' ' ' PHE . 23.8 tp -57.59 154.02 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 0.819 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.2 t -130.15 147.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -130.48 55.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.52 HD21 ' ND2' ' A' ' 105' ' ' ASN . 3.6 p-10 -178.15 -171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.52 ' ND2' HD21 ' A' ' 104' ' ' ASN . 0.5 OUTLIER -51.02 177.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 67.55 58.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -83.68 144.54 29.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 109' ' ' SER . 73.8 t -116.52 87.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER 164.75 91.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -144.24 92.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.4 5.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.9 t 46.4 50.43 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t 174.6 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 -70.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -137.12 -162.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -90.13 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 64.35 141.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -117.35 -65.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.26 115.02 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 163.75 23.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -43.87 104.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 2.6 p30 -58.63 -16.67 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -54.49 13.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' LEU . 3.6 ttm180 -71.2 -41.64 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 10' ' ' ASN . 3.2 mp -35.9 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t 67.52 -65.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 13' ' ' LEU . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 84' ' ' LEU . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 20' ' ' ARG . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.564 HG13 ' CE2' ' A' ' 30' ' ' PHE . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 44' ' ' VAL . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 38' ' ' ILE . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 48' ' ' TYR . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 46' ' ' VAL . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 HD13 ' CG1' ' A' ' 58' ' ' VAL . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' ' CG2' ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 51' ' ' ILE . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.408 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.457 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD1' HD23 ' A' ' 22' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' ALA . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -152.34 132.74 7.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.86 30.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CD2' HD21 ' A' ' 101' ' ' LEU . 2.2 m-85 -77.04 164.23 60.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 75.45 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.32 -14.23 2.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.467 HD21 ' CD2' ' A' ' 98' ' ' PHE . 27.0 tp -61.8 152.41 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 71.5 t -131.83 150.74 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.81 63.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.67 -179.08 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -104.7 -160.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.93 41.24 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.73 152.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.8 t -124.66 91.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER 164.19 74.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.48 85.71 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -40.0 -50.0 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -73.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.57 119.19 8.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -84.77 165.12 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.77 -108.38 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -55.57 33.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t 63.09 163.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.03 76.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.63 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -134.15 149.34 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -67.96 -40.95 83.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.81 -40.85 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' LEU . 49.3 mtt180 -72.51 -40.79 66.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 14' ' ' SER . 84.0 mt -55.81 -106.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.7 t 79.8 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 84' ' ' LEU . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' HG11 ' A' ' 26' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 38' ' ' ILE . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' CD1' ' A' ' 48' ' ' TYR . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 46' ' ' VAL . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 53' ' ' ILE . 5.8 p30 -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG22 ' CZ ' ' A' ' 98' ' ' PHE . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 60' ' ' VAL . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG22 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CE2' HG22 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD1' HD21 ' A' ' 22' ' ' LEU . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CD2' HG23 ' A' ' 60' ' ' VAL . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -135.71 131.83 19.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 152.46 40.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 58' ' ' VAL . 3.6 m-85 -75.83 162.98 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 79.25 2.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.68 -13.34 3.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.75 155.35 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -134.44 148.23 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 104' ' ' ASN . 5.0 mt -134.53 150.73 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.505 ' ND2' ' N ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER 59.29 167.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.505 ' N ' ' ND2' ' A' ' 104' ' ' ASN . 2.0 t-20 81.91 -179.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.44 148.01 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.4 tp -97.09 153.41 17.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.59 125.36 66.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.46 -56.42 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.6 120.63 22.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -63.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -61.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 49.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -174.74 162.75 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 177.7 151.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.07 150.13 6.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -174.64 125.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -167.41 169.17 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.82 -60.19 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.09 74.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -176.09 119.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.12 -40.85 86.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.01 -50.02 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -67.03 -45.6 76.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD13 ' CG ' ' A' ' 17' ' ' GLU . 48.8 mt -46.22 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t 64.08 -100.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' CG ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' HG ' ' CE ' ' A' ' 18' ' ' LYS . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG12 ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 83' ' ' ILE . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CE2' HG12 ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 48' ' ' TYR . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CD1' HG13 ' A' ' 46' ' ' VAL . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.557 HG21 ' CZ ' ' A' ' 98' ' ' PHE . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' N ' HG13 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.416 ' CB ' HG22 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 29' ' ' LEU . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 87' ' ' ALA . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -121.5 131.18 24.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 127.87 10.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 58' ' ' VAL . 83.6 m-85 -49.09 167.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -75.02 53.77 3.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.552 1.817 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 101' ' ' LEU . . . 147.01 -48.95 0.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 100' ' ' GLY . 20.6 tp 49.62 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -145.44 134.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.481 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 1.2 mt -144.65 63.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 119.8 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.9 OUTLIER -51.92 163.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER 160.88 81.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.83 145.68 51.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -57.25 125.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -54.19 -58.01 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 80.19 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.5 14.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -39.66 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.48 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 66.7 p -147.75 123.05 10.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.31 -61.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 122.93 -175.05 16.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -178.96 170.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 124.41 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.0 170.08 13.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.59 -51.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.37 148.76 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -61.27 -33.62 73.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.59 -29.21 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LEU . 29.4 mtt180 -84.8 -42.03 15.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.4 mt -40.46 105.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -126.12 -69.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 84' ' ' LEU . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' HG13 ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' A' ' 38' ' ' ILE . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 48' ' ' TYR . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 46' ' ' VAL . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 58' ' ' VAL . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 51' ' ' ILE . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 HG23 ' CD2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' HD23 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 HD23 ' CG ' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.423 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 22' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 90' ' ' ILE . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.437 HG21 ' CD1' ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -133.9 134.66 23.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.92 34.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 101' ' ' LEU . 3.1 m-85 -72.41 163.92 63.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.05 9.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 3.91 5.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 37.5 tp -74.05 159.58 32.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -149.56 147.24 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mt -128.75 65.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 133.57 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' C ' ' ND2' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -78.23 -178.16 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 62.23 142.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 42' ' ' PHE . 6.3 mp -128.57 -172.71 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.96 -39.54 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.18 150.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 95.63 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.94 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 39.83 32.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.0 t -157.47 -65.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.74 -58.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 57.84 170.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.73 82.08 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.41 177.44 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -122.79 137.93 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.28 -171.67 44.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.25 103.73 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.16 137.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -56.11 -40.87 74.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.69 -38.45 72.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.19 -51.64 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 mt -41.29 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t 64.15 -95.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' CD ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 HG12 ' CE2' ' A' ' 30' ' ' PHE . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' A' ' 26' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 38' ' ' ILE . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 38' ' ' ILE . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.612 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' CD ' ' A' ' 15' ' ' LYS . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' ALA . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.451 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' HG21 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.23 141.58 32.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.65 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 41.6 p90 -178.51 168.54 0.93 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 98' ' ' PHE . 18.0 Cg_endo -75.03 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.99 1.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 38.8 tp -79.22 162.52 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.428 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 97.2 t -148.22 145.35 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mt -135.76 -46.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -72.94 114.95 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -39.42 134.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 163.07 70.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.5 170.99 7.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.28 77.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.5 m -170.59 173.94 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.53 159.2 30.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 160.26 40.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.0 t -43.91 -36.72 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -133.47 88.7 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 80' ' ' MET . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 HD23 ' A' ' 84' ' ' LEU . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 46' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.432 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 45' ' ' LYS . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 30' ' ' PHE . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.655 ' N ' HG22 ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 HG22 ' A' ' 94' ' ' VAL . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.699 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.472 HG21 ' HD3' ' A' ' 82' ' ' ARG . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 51' ' ' ILE . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 70' ' ' LYS . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.469 ' CB ' HG21 ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 67' ' ' VAL . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 29' ' ' LEU . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 29' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CE2' HG22 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 95' ' ' ILE . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.08 HG23 ' HB1' ' A' ' 37' ' ' ALA . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 77' ' ' ILE . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.085 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 45' ' ' LYS . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 30' ' ' PHE . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.648 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 53' ' ' ILE . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 94' ' ' VAL . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 65' ' ' PRO . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.739 ' CE2' HG21 ' A' ' 60' ' ' VAL . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.731 ' CE2' HG22 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.622 HG22 HD12 ' A' ' 95' ' ' ILE . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.085 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 93' ' ' THR . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 HG23 ' A' ' 77' ' ' ILE . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD22 HD23 ' A' ' 84' ' ' LEU . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.105 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.472 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 30' ' ' PHE . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.632 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.683 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' HG22 ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 HG22 ' A' ' 94' ' ' VAL . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 HD13 ' A' ' 95' ' ' ILE . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 65' ' ' PRO . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.683 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.636 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.755 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.423 ' CB ' HG21 ' A' ' 26' ' ' VAL . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.696 HD23 HD22 ' A' ' 29' ' ' LEU . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.635 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.105 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.723 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.723 ' HG2' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HG23 ' A' ' 77' ' ' ILE . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 33' ' ' LYS . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.992 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' PHE . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.735 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' THR . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.588 ' N ' HG22 ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 94' ' ' VAL . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.68 HG23 HD13 ' A' ' 95' ' ' ILE . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.73 HG21 ' CE2' ' A' ' 69' ' ' PHE . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG2' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.73 ' CE2' HG21 ' A' ' 60' ' ' VAL . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD21 ' HG2' ' A' ' 70' ' ' LYS . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.811 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.546 HH11 HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.41 HG22 ' CD2' ' A' ' 29' ' ' LEU . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 25' ' ' GLN . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.992 HG23 ' HB1' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.805 HD12 HG23 ' A' ' 77' ' ' ILE . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 80' ' ' MET . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 34' ' ' PHE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 30' ' ' PHE . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.626 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG22 HG22 ' A' ' 94' ' ' VAL . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 95' ' ' ILE . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 51' ' ' ILE . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 70' ' ' LYS . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HD12 ' A' ' 22' ' ' LEU . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.418 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.531 ' CB ' HG21 ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 79' ' ' SER . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.65 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HG2' HG22 ' A' ' 95' ' ' ILE . 7.2 mmt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 77' ' ' ILE . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 80' ' ' MET . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.078 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.478 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.478 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.665 ' N ' HG22 ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 94' ' ' VAL . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 95' ' ' ILE . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.515 ' N ' HG12 ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.693 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.749 HG23 HD12 ' A' ' 22' ' ' LEU . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.44 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 29' ' ' LEU . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.078 HG23 ' HB1' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.807 HD13 HG23 ' A' ' 59' ' ' VAL . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.843 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.926 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 80' ' ' MET . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.682 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.091 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.477 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.477 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.662 ' N ' HG22 ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 HG22 ' A' ' 94' ' ' VAL . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.75 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.75 ' CE2' HG21 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.633 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD21 ' HG2' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 22' ' ' LEU . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.462 ' CG ' HG21 ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HG2' HD13 ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' MET . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.655 HD23 HD22 ' A' ' 29' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 95' ' ' ILE . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.091 HG23 ' HB1' ' A' ' 37' ' ' ALA . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.5 mmp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 77' ' ' ILE . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 87' ' ' ALA . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ALA . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.995 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.507 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.507 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.653 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 94' ' ' VAL . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.587 HG23 HD13 ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.625 HG21 ' HD3' ' A' ' 82' ' ' ARG . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 60' ' ' VAL . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 22' ' ' LEU . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HD3' HG21 ' A' ' 67' ' ' VAL . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.444 HG22 HD21 ' A' ' 29' ' ' LEU . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HD12 ' A' ' 95' ' ' ILE . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.995 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.66 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.8 mmt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 77' ' ' ILE . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 80' ' ' MET . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 46' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.779 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HA ' HD11 ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 94' ' ' VAL . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 60' ' ' VAL . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.74 HG22 ' CE2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 82' ' ' ARG . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.549 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.676 HG12 ' HB2' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 67' ' ' VAL . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 29' ' ' LEU . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.74 ' CE2' HG22 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 58' ' ' VAL . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HD11 ' A' ' 77' ' ' ILE . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.787 ' CD1' HG23 ' A' ' 77' ' ' ILE . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' CB ' ' A' ' 80' ' ' MET . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 94' ' ' VAL . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 HD13 ' A' ' 95' ' ' ILE . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.743 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.743 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 70' ' ' LYS . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.787 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.496 ' CB ' HG21 ' A' ' 26' ' ' VAL . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 58' ' ' VAL . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD12 HG23 ' A' ' 77' ' ' ILE . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 30' ' ' PHE . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.637 ' N ' HG22 ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.766 HG23 HD13 ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG2' HG21 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' PRO . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 51' ' ' ILE . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 70' ' ' LYS . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 22' ' ' LEU . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 29' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.882 HG23 ' HB1' ' A' ' 37' ' ' ALA . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.766 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 77' ' ' ILE . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 HG23 ' A' ' 77' ' ' ILE . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 46' ' ' VAL . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.092 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.472 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 45' ' ' LYS . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 30' ' ' PHE . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.654 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.654 ' N ' HG22 ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' PRO . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 94' ' ' VAL . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.713 HG23 HD13 ' A' ' 95' ' ' ILE . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.623 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.623 HD21 ' HG2' ' A' ' 70' ' ' LYS . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.73 ' CG1' ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' HD12 ' A' ' 83' ' ' ILE . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 79' ' ' SER . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.558 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.676 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.092 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 HG23 ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG21 ' HB3' ' A' ' 30' ' ' PHE . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE1' HG11 ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.554 ' N ' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 1.6 p-10 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD13 ' A' ' 95' ' ' ILE . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.69 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.69 HD21 ' HG2' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.844 HG23 HD12 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 25' ' ' GLN . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CD2' HG22 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.001 HG23 ' HB1' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 59' ' ' VAL . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 95' ' ' ILE . 7.4 mtp180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.685 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.739 HD22 HD23 ' A' ' 84' ' ' LEU . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.551 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LYS . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 94' ' ' VAL . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 60' ' ' VAL . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HD3' ' A' ' 82' ' ' ARG . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.512 HD21 ' HG2' ' A' ' 70' ' ' LYS . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.685 HG12 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.573 ' CB ' HG21 ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HD3' HG21 ' A' ' 67' ' ' VAL . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD22 ' A' ' 29' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 95' ' ' ILE . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.965 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HD2' ' A' ' 81' ' ' ARG . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 84' ' ' LEU . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB3' HG21 ' A' ' 46' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 30' ' ' PHE . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 51' ' ' ILE . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' ILE . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.788 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.788 ' CE2' HG21 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.925 HG23 HD12 ' A' ' 22' ' ' LEU . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.936 ' HD2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG22 HD21 ' A' ' 29' ' ' LEU . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 37' ' ' ALA . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 95' ' ' ILE . 2.5 mtp180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 HG23 ' A' ' 77' ' ' ILE . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 80' ' ' MET . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 84' ' ' LEU . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.615 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.461 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' HG3' ' A' ' 40' ' ' MET . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 30' ' ' PHE . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.698 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.693 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.693 ' N ' HG22 ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 94' ' ' VAL . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG23 HD13 ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 65' ' ' PRO . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 51' ' ' ILE . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.735 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.55 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 29' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' HG22 ' A' ' 60' ' ' VAL . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 95' ' ' ILE . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.877 HG23 ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.952 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.529 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 30' ' ' PHE . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.795 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NH1' ' HA ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.795 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.696 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.696 ' N ' HG22 ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 94' ' ' VAL . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 95' ' ' ILE . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.657 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 65' ' ' PRO . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.657 ' CE2' HG21 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 25' ' ' GLN . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.952 HG23 ' HB1' ' A' ' 37' ' ' ALA . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' O ' HD11 ' A' ' 77' ' ' ILE . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD22 ' CD1' ' A' ' 84' ' ' LEU . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 84' ' ' LEU . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' PRO . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.825 ' O ' HG21 ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.544 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 38' ' ' ILE . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' THR . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.645 ' N ' HG22 ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 HD13 ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.549 ' N ' HG12 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.42 ' HE2' HG12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE2' HG21 ' A' ' 51' ' ' ILE . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.717 HD21 ' HG2' ' A' ' 70' ' ' LYS . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.504 ' CB ' HG21 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.637 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PHE . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.758 HD13 HG23 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 77' ' ' ILE . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 84' ' ' LEU . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 45' ' ' LYS . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 30' ' ' PHE . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 94' ' ' VAL . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.704 HG23 HD13 ' A' ' 95' ' ' ILE . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CE2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 HD22 ' A' ' 29' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CE2' HG22 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.029 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.704 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.591 ' CD ' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' CD1' HG23 ' A' ' 77' ' ' ILE . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 HD23 ' A' ' 84' ' ' LEU . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' A' ' 46' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.972 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.669 HG11 ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.587 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CE1' HG11 ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HA ' HD11 ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.604 HG21 ' HE2' ' A' ' 69' ' ' PHE . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 94' ' ' VAL . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG23 HD13 ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' N ' HG12 ' A' ' 59' ' ' VAL . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' HD3' ' A' ' 82' ' ' ARG . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.604 ' HE2' HG21 ' A' ' 51' ' ' ILE . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD21 ' HG2' ' A' ' 70' ' ' LYS . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 22' ' ' LEU . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.434 ' O ' HD12 ' A' ' 83' ' ' ILE . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HD3' HG21 ' A' ' 67' ' ' VAL . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 79' ' ' SER . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 25' ' ' GLN . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.813 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.972 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -139.11 153.93 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -70.79 138.99 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 -163.84 16.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -93.74 152.27 19.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 -176.19 47.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.73 88.06 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.5 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -57.55 -38.47 74.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.47 -37.39 70.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' LEU . 53.1 mmt-85 -81.34 -42.13 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 16' ' ' VAL . 60.6 mt -55.52 -104.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.2 t 78.48 -71.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HB ' HD22 ' A' ' 13' ' ' LEU . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 80' ' ' MET . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 HD23 ' A' ' 84' ' ' LEU . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 46' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.432 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 45' ' ' LYS . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 30' ' ' PHE . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.655 ' N ' HG22 ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 HG22 ' A' ' 94' ' ' VAL . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.699 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.472 HG21 ' HD3' ' A' ' 82' ' ' ARG . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 51' ' ' ILE . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 70' ' ' LYS . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CB ' HG21 ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 67' ' ' VAL . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 29' ' ' LEU . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 29' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CE2' HG22 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 95' ' ' ILE . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.08 HG23 ' HB1' ' A' ' 37' ' ' ALA . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 -153.37 133.99 7.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.13 42.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.704 ' HD2' HD13 ' A' ' 101' ' ' LEU . 7.0 m-85 -73.41 163.05 71.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 76.71 3.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.01 -14.41 2.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.704 HD13 ' HD2' ' A' ' 98' ' ' PHE . 26.0 tp -52.44 160.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.8 t -135.93 146.3 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 mt -130.92 152.01 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 73.19 173.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 63.31 -175.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.89 154.44 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -65.27 -174.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.547 ' H ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -108.05 118.49 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -124.4 -172.94 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.09 67.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.4 p -151.35 -87.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -47.52 77.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -138.29 154.2 49.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 65.82 143.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.9 161.57 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 p -177.19 155.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.09 157.5 37.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.25 105.49 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.04 156.71 6.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.83 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.8 p30 -58.23 -35.28 71.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -54.69 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.66 -41.44 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 10' ' ' ASN . 87.4 mt -56.38 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t 76.6 -71.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.943 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 77' ' ' ILE . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.085 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 45' ' ' LYS . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 30' ' ' PHE . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.648 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 53' ' ' ILE . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 94' ' ' VAL . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 65' ' ' PRO . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.739 ' CE2' HG21 ' A' ' 60' ' ' VAL . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.731 ' CE2' HG22 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.622 HG22 HD12 ' A' ' 95' ' ' ILE . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.085 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 93' ' ' THR . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -156.42 133.74 6.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.3 35.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.9 m-85 -77.03 163.56 64.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.93 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.25 -13.02 2.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 98' ' ' PHE . 23.6 tp -62.55 153.66 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -138.43 149.94 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 103' ' ' ILE . 12.9 mt -118.92 56.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 106' ' ' GLN . 6.6 t-20 -105.63 151.48 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.59 75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' ASN . 33.9 mt-30 -129.06 122.22 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.8 mp -57.54 174.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 107' ' ' LEU . 61.9 t -154.24 89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.1 121.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.91 177.4 0.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.35 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t 40.32 35.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.1 p 177.57 38.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 61.9 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.731 . . . . 0.0 110.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.5 158.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.8 -146.96 5.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -176.29 -63.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m 61.83 171.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 165.19 13.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.85 -49.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -114.53 145.92 41.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -68.93 -41.36 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -51.0 11.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 5.6 mtt-85 -64.48 -50.37 67.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 16' ' ' VAL . 65.7 mt -50.27 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t 75.88 -71.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 HG23 ' A' ' 77' ' ' ILE . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD22 HD23 ' A' ' 84' ' ' LEU . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.105 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.472 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HG11 ' A' ' 108' ' ' VAL . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 30' ' ' PHE . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.632 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.683 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' HG22 ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 HG22 ' A' ' 94' ' ' VAL . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 HD13 ' A' ' 95' ' ' ILE . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 65' ' ' PRO . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.683 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.636 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.755 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.423 ' CB ' HG21 ' A' ' 26' ' ' VAL . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.696 HD23 HD22 ' A' ' 29' ' ' LEU . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.635 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.105 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.723 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.723 ' HG2' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -134.8 131.36 20.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.05 42.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.9 m-85 -78.68 163.65 59.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.35 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.762 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.84 -5.39 5.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 98' ' ' PHE . 28.4 tp -67.07 150.08 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -142.57 159.13 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . 30.7 mt -115.37 47.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.87 133.93 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -45.27 145.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' LEU . 2.5 mt-30 174.35 155.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER 44.67 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.726 ' O ' HG12 ' A' ' 108' ' ' VAL . 12.3 t 40.18 72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.23 111.11 2.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.772 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -90.14 39.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 p -179.19 41.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -142.5 -58.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -135.04 170.69 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.6 117.54 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.04 166.31 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -177.97 -58.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 103.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -176.75 -179.06 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.25 157.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.8 p-10 -57.74 -34.38 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.61 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' LEU . 89.8 mtt180 -66.8 -41.31 87.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 10' ' ' ASN . 64.8 mt -53.14 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.2 t 81.42 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HG23 ' A' ' 77' ' ' ILE . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 33' ' ' LYS . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.992 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' PHE . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.735 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' THR . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.588 ' N ' HG22 ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 94' ' ' VAL . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.68 HG23 HD13 ' A' ' 95' ' ' ILE . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.73 HG21 ' CE2' ' A' ' 69' ' ' PHE . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG2' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.73 ' CE2' HG21 ' A' ' 60' ' ' VAL . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD21 ' HG2' ' A' ' 70' ' ' LYS . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.811 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.546 HH11 HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.41 HG22 ' CD2' ' A' ' 29' ' ' LEU . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 25' ' ' GLN . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.992 HG23 ' HB1' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -139.23 133.99 16.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.29 35.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.9 m-85 -83.68 165.93 37.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 78.32 2.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.82 -14.02 2.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 102' ' ' VAL . 23.3 tp -65.84 157.01 31.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 101' ' ' LEU . 90.2 t -155.28 146.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' ASN . 18.8 mt -115.08 -75.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 1.0 OUTLIER 68.45 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER 161.9 -52.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -176.59 178.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -101.21 174.23 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.545 ' H ' HD23 ' A' ' 107' ' ' LEU . 21.9 t -149.15 59.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.79 83.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -64.24 176.99 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.72 2.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.89 106.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.11 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p 54.44 74.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -50.23 146.92 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.92 123.86 0.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -174.32 140.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -128.74 -59.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.34 179.33 22.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 178.75 126.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.04 100.43 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -64.91 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.38 -47.62 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 13' ' ' LEU . 2.4 ttp180 -77.16 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' ARG . 71.8 mt -41.59 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 66.21 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.805 HD12 HG23 ' A' ' 77' ' ' ILE . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 80' ' ' MET . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 34' ' ' PHE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 30' ' ' PHE . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.626 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG22 HG22 ' A' ' 94' ' ' VAL . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 95' ' ' ILE . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 51' ' ' ILE . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 70' ' ' LYS . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HD12 ' A' ' 22' ' ' LEU . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.418 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.531 ' CB ' HG21 ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 79' ' ' SER . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.65 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HG2' HG22 ' A' ' 95' ' ' ILE . 7.2 mmt85 -136.89 130.85 17.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.7 m-85 -92.07 164.51 23.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 86.27 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.27 -6.15 5.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 98' ' ' PHE . 24.1 tp -66.93 150.56 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.08 160.11 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 39.5 mt -120.19 -68.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.9 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 1.6 p30 -85.13 151.0 24.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 2.2 mm-40 162.87 106.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.81 -170.09 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.9 142.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 m -83.79 151.97 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.49 99.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.99 25.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 p -40.09 -60.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.47 -61.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -171.32 166.04 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.05 167.44 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -55.49 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -42.19 -54.13 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -133.19 136.58 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.4 57.64 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 175.49 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.68 49.64 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -68.54 -28.57 67.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -62.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -51.34 -56.59 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.9 mt -38.09 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -126.3 -69.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 77' ' ' ILE . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 80' ' ' MET . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.078 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.478 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.478 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.665 ' N ' HG22 ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 94' ' ' VAL . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 95' ' ' ILE . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.515 ' N ' HG12 ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.693 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.749 HG23 HD12 ' A' ' 22' ' ' LEU . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.44 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 29' ' ' LEU . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.078 HG23 ' HB1' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.807 HD13 HG23 ' A' ' 59' ' ' VAL . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.4 132.51 20.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.66 42.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 101' ' ' LEU . 6.2 m-85 -78.52 162.48 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 78.22 2.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.8 -10.9 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 98' ' ' PHE . 46.7 tp -47.89 163.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.6 145.8 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.94 153.56 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.94 174.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -67.64 -161.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER 59.48 172.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 108' ' ' VAL . 1.9 tt 60.21 149.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.709 ' N ' HD23 ' A' ' 107' ' ' LEU . 73.3 t -42.4 134.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.1 m -155.63 126.35 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -40.75 101.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.78 5.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.82 35.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.19 47.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 111.25 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -96.83 86.99 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 107.43 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.66 94.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.49 150.7 44.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.72 -131.56 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -125.74 103.2 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -176.81 119.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -67.26 -41.74 85.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -37.96 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -79.22 -52.15 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.9 mt -41.08 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t 63.78 -92.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.843 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.926 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 80' ' ' MET . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.682 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.091 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.477 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.477 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.662 ' N ' HG22 ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 HG22 ' A' ' 94' ' ' VAL . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.75 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.75 ' CE2' HG21 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.633 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.633 HD21 ' HG2' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 22' ' ' LEU . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.462 ' CG ' HG21 ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HG2' HD13 ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' MET . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.655 HD23 HD22 ' A' ' 29' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 95' ' ' ILE . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.091 HG23 ' HB1' ' A' ' 37' ' ' ALA . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.5 mmp_? -134.01 133.21 21.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.22 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.67 ' HD2' HD13 ' A' ' 101' ' ' LEU . 5.6 m-85 -80.38 163.43 56.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.61 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.5 -5.6 5.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 98' ' ' PHE . 33.6 tp -60.15 159.28 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 101' ' ' LEU . 84.1 t -153.55 148.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 103' ' ' ILE . 31.5 mt -123.69 57.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.62 148.59 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 2.7 p-10 -55.33 156.35 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 1.4 mm-40 164.63 117.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -51.01 172.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.02 124.47 67.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 p -63.82 125.32 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.04 65.51 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -75.01 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -38.23 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.35 42.78 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 166.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -173.98 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.34 -148.87 6.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -168.21 -62.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 0.807 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -178.74 129.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.95 -107.92 2.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.77 97.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.5 100.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -57.89 -49.68 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -52.54 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.7 mtt180 -68.83 -58.98 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' ARG . 68.0 mt -43.51 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t 68.07 -75.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 77' ' ' ILE . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 87' ' ' ALA . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ALA . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.995 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.507 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.507 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.653 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 94' ' ' VAL . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.587 HG23 HD13 ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.625 HG21 ' HD3' ' A' ' 82' ' ' ARG . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 60' ' ' VAL . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 22' ' ' LEU . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HD3' HG21 ' A' ' 67' ' ' VAL . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.444 HG22 HD21 ' A' ' 29' ' ' LEU . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HD12 ' A' ' 95' ' ' ILE . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.995 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.66 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.8 mmt180 -138.91 133.36 16.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 159.2 42.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.7 m-85 -87.21 167.1 22.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.51 2.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.4 -12.47 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 98' ' ' PHE . 23.3 tp -68.17 146.39 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.95 146.66 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' HG22 ' A' ' 38' ' ' ILE . 5.4 mt -124.62 53.16 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 105' ' ' ASN . 27.5 t-20 -178.92 165.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 23.4 m120 62.09 46.62 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 25.3 pt20 44.6 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -109.73 -175.49 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -108.78 106.17 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 p -178.65 167.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.67 72.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.9 m -134.2 -53.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 p -92.37 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -177.24 154.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -161.36 143.09 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.28 114.61 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -146.23 120.8 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -156.05 137.45 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 101.24 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.73 142.05 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -132.87 126.3 31.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -66.56 -29.35 69.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -37.22 62.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -83.56 -41.75 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD13 ' HG2' ' A' ' 17' ' ' GLU . 39.1 mt -52.65 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t 63.77 -93.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 77' ' ' ILE . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 80' ' ' MET . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 46' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.779 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HA ' HD11 ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 94' ' ' VAL . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 60' ' ' VAL . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.74 HG22 ' CE2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 82' ' ' ARG . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.549 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.676 HG12 ' HB2' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 67' ' ' VAL . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 29' ' ' LEU . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.74 ' CE2' HG22 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 58' ' ' VAL . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.97 135.05 19.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HB3' HD23 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.04 166.31 29.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.8 m-85 -81.06 163.29 56.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 79.42 2.67 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.29 -9.83 4.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 98' ' ' PHE . 48.8 tp -53.73 162.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.4 t -143.98 147.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 103' ' ' ILE . 35.6 mt -119.43 55.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -149.8 160.01 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -44.08 -43.16 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.77 93.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.6 168.79 11.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 109' ' ' SER . 53.3 t -121.02 82.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.4 OUTLIER 160.07 -58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.49 154.13 5.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 72.23 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -65.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.9 t -79.26 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -152.22 85.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -145.25 158.43 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.78 123.65 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.18 120.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 152.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -116.69 99.51 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -174.21 132.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -58.45 -35.63 72.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.99 -51.63 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -65.66 -42.89 90.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 17' ' ' GLU . 33.6 mt -55.05 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.35 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 13' ' ' LEU . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.646 ' HG2' HD13 ' A' ' 13' ' ' LEU . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.787 ' CD1' HG23 ' A' ' 77' ' ' ILE . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' CB ' ' A' ' 80' ' ' MET . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 94' ' ' VAL . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 HD13 ' A' ' 95' ' ' ILE . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.743 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.743 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 70' ' ' LYS . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.787 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.496 ' CB ' HG21 ' A' ' 26' ' ' VAL . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 58' ' ' VAL . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -144.95 133.06 10.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.4 Cg_endo -75.0 168.54 24.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.1 m-85 -84.35 166.18 34.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.52 0.32 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.583 1.177 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.629 HD22 ' CD2' ' A' ' 98' ' ' PHE . 24.9 tp -76.48 160.41 29.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 101' ' ' LEU . 97.9 t -153.22 148.12 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 103' ' ' ILE . 59.7 mt -107.48 64.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -151.66 145.35 25.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -51.64 147.43 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.58 28.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.788 ' C ' HD22 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -58.7 139.72 55.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.692 ' HB ' HD22 ' A' ' 107' ' ' LEU . 39.3 t 44.51 92.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.26 147.78 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.91 101.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.11 6.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -80.03 60.19 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.67 -58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.022 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -40.21 -58.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 63.71 123.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 162.1 24.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 104.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -123.29 139.64 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.43 159.29 1.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.33 168.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.59 147.8 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 13' ' ' LEU . 35.3 m-20 -63.8 -41.25 97.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.19 -49.58 22.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -65.36 -46.84 78.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD22 ' HB ' ' A' ' 16' ' ' VAL . 69.7 mt -51.32 -99.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.5 t 78.07 -71.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD12 HG23 ' A' ' 77' ' ' ILE . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 30' ' ' PHE . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.637 ' N ' HG22 ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.766 HG23 HD13 ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG2' HG21 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' PRO . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 51' ' ' ILE . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 70' ' ' LYS . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 22' ' ' LEU . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 29' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.882 HG23 ' HB1' ' A' ' 37' ' ' ALA . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.766 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -138.1 133.57 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.93 39.72 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.3 m-85 -81.64 163.51 53.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.83 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.88 -12.56 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 98' ' ' PHE . 25.3 tp -61.47 160.41 11.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 101' ' ' LEU . 98.1 t -152.79 148.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 103' ' ' ILE . 49.5 mt -115.73 50.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -95.09 119.35 33.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ASN . 3.5 p-10 -53.12 -173.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LEU . 4.2 mm-40 41.01 48.35 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' GLN . 0.4 OUTLIER 38.98 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.41 82.73 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -42.96 137.51 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.25 -158.56 10.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -59.66 -53.79 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -67.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.04 -59.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.39 132.51 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.9 103.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.28 131.65 55.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.73 -179.64 37.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -121.03 96.18 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.66 104.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.587 ' HA ' HD12 ' A' ' 13' ' ' LEU . 7.4 p30 -67.66 -28.73 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -32.65 65.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -89.96 -41.17 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.819 HD13 ' HG2' ' A' ' 17' ' ' GLU . 82.4 mt -48.38 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t 63.65 -88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 77' ' ' ILE . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.819 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 HG23 ' A' ' 77' ' ' ILE . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 46' ' ' VAL . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.092 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.472 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 45' ' ' LYS . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 30' ' ' PHE . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.654 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.654 ' N ' HG22 ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' PRO . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 94' ' ' VAL . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.713 HG23 HD13 ' A' ' 95' ' ' ILE . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.623 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.623 HD21 ' HG2' ' A' ' 70' ' ' LYS . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.73 ' CG1' ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' HD12 ' A' ' 83' ' ' ILE . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 79' ' ' SER . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.558 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.676 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.092 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -161.04 133.98 4.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.4 12.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.0 m-85 -91.56 164.51 24.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.63 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.79 -7.75 4.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 98' ' ' PHE . 26.7 tp -67.7 155.67 38.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 103' ' ' ILE . 42.8 t -135.76 161.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' HG12 ' A' ' 102' ' ' VAL . 6.7 mt -123.78 157.67 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.92 163.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -60.17 -46.66 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -58.52 119.79 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -119.95 178.81 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.779 ' N ' HD22 ' A' ' 107' ' ' LEU . 72.6 t -114.85 117.79 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.7 t 63.33 111.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 152.39 97.25 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 m -47.33 -62.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.4 p -114.29 81.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.23 149.92 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.42 104.25 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.07 -61.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m 53.91 103.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.75 83.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -157.93 128.02 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.13 108.47 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.46 -41.86 79.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -43.77 -37.36 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -76.54 -45.2 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 4.6 mt -42.54 105.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -122.93 -69.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 HG23 ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG21 ' HB3' ' A' ' 30' ' ' PHE . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE1' HG11 ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.554 ' N ' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 1.6 p-10 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD13 ' A' ' 95' ' ' ILE . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.69 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.69 HD21 ' HG2' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.844 HG23 HD12 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 25' ' ' GLN . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CD2' HG22 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.001 HG23 ' HB1' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 59' ' ' VAL . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 95' ' ' ILE . 7.4 mtp180 -140.68 129.85 13.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.39 42.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.5 m-85 -78.87 165.7 47.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 83.16 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.0 -2.27 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.59 HD22 ' CD2' ' A' ' 98' ' ' PHE . 38.5 tp -73.42 161.07 30.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.426 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 22.2 t -132.48 162.46 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' O ' ' HE2' ' A' ' 40' ' ' MET . 30.2 mm -97.73 -52.63 8.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -116.46 161.73 18.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -41.38 153.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 177.7 78.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.33 177.17 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 108' ' ' VAL . 41.7 t 43.6 78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -108.12 111.3 23.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -126.85 172.27 18.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -151.24 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -91.55 -58.57 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.65 126.11 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -161.89 144.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.07 145.26 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.29 146.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.42 168.47 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.93 -115.72 2.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 56.38 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.75 147.37 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' A' ' 13' ' ' LEU . 16.1 m-80 -64.93 -35.79 82.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.55 14.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -87.08 -43.75 12.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 17' ' ' GLU . 86.7 mt -48.61 -85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t 63.85 -96.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.685 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.739 HD22 HD23 ' A' ' 84' ' ' LEU . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.551 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LYS . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 94' ' ' VAL . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 60' ' ' VAL . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HD3' ' A' ' 82' ' ' ARG . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.512 HD21 ' HG2' ' A' ' 70' ' ' LYS . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.685 HG12 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.573 ' CB ' HG21 ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HD3' HG21 ' A' ' 67' ' ' VAL . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD22 ' A' ' 29' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 95' ' ' ILE . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.965 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 -149.0 134.81 9.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.3 Cg_endo -74.94 163.65 35.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.7 m-85 -76.49 164.72 57.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 81.02 2.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.17 -8.88 4.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' A' ' 98' ' ' PHE . 27.1 tp -67.19 157.9 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.3 t -141.3 146.93 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 103' ' ' ILE . 26.0 mt -116.23 52.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER 172.86 178.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.5 m120 47.2 -163.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 63.34 32.27 14.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 109' ' ' SER . 0.8 OUTLIER -56.91 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' N ' ' A' ' 109' ' ' SER . 2.5 t 64.71 -76.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.632 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.0 OUTLIER 86.44 170.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.95 153.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -49.39 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.73 79.68 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.047 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 45.49 80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.75 123.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -88.39 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.57 85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.955 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.9 162.99 30.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.94 69.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -158.79 150.04 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.42 104.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 13' ' ' LEU . 5.5 m120 -63.35 -25.91 68.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.62 -54.17 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 8.1 mmt180 -62.55 -43.13 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' HB ' ' A' ' 16' ' ' VAL . 58.3 mt -54.63 -103.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.9 t 79.52 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HD2' ' A' ' 81' ' ' ARG . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 84' ' ' LEU . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB3' HG21 ' A' ' 46' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 30' ' ' PHE . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 51' ' ' ILE . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' ILE . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.788 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.788 ' CE2' HG21 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.925 HG23 HD12 ' A' ' 22' ' ' LEU . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.936 ' HD2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG22 HD21 ' A' ' 29' ' ' LEU . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 37' ' ' ALA . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 95' ' ' ILE . 2.5 mtp180 -137.09 132.55 18.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.58 33.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.679 ' HD2' HD13 ' A' ' 101' ' ' LEU . 5.2 m-85 -91.07 163.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 86.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.41 -12.19 5.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.679 HD13 ' HD2' ' A' ' 98' ' ' PHE . 23.8 tp -57.59 154.02 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 0.819 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.2 t -130.15 147.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 103' ' ' ILE . 20.9 mt -130.48 55.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -178.15 -171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -51.02 177.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 67.55 58.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -83.68 144.54 29.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 109' ' ' SER . 73.8 t -116.52 87.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER 164.75 91.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -144.24 92.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.4 5.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.9 t 46.4 50.43 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t 174.6 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 -70.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -137.12 -162.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -90.13 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 64.35 141.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -117.35 -65.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.26 115.02 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 163.75 23.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -43.87 104.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.908 ' HA ' HD13 ' A' ' 13' ' ' LEU . 1.7 p-10 -58.63 -16.67 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -54.49 13.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' LEU . 3.6 ttm180 -71.2 -41.64 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 10' ' ' ASN . 3.2 mp -35.9 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t 67.52 -65.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' HB ' HD23 ' A' ' 13' ' ' LEU . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 HG23 ' A' ' 77' ' ' ILE . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 80' ' ' MET . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 84' ' ' LEU . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.615 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.461 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' HG3' ' A' ' 40' ' ' MET . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 30' ' ' PHE . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.698 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.693 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.693 ' N ' HG22 ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 94' ' ' VAL . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG23 HD13 ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 65' ' ' PRO . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 51' ' ' ILE . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.735 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.55 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 29' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' HG22 ' A' ' 60' ' ' VAL . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 95' ' ' ILE . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.877 HG23 ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -152.34 132.74 7.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.4 Cg_endo -74.99 165.86 30.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.2 m-85 -77.04 164.23 60.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 75.45 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.32 -14.23 2.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 98' ' ' PHE . 27.0 tp -61.8 152.41 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 71.5 t -131.83 150.74 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 103' ' ' ILE . 49.9 mt -113.81 63.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.67 -179.08 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -104.7 -160.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.93 41.24 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.73 152.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.8 t -124.66 91.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER 164.19 74.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.48 85.71 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -40.0 -50.0 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -73.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.57 119.19 8.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -84.77 165.12 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.77 -108.38 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -55.57 33.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t 63.09 163.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.03 76.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.63 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -134.15 149.34 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HA ' HD12 ' A' ' 13' ' ' LEU . 26.1 m-20 -67.96 -40.95 83.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.81 -40.85 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' LEU . 49.3 mtt180 -72.51 -40.79 66.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 10' ' ' ASN . 84.0 mt -55.81 -106.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.7 t 79.8 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 13' ' ' LEU . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.952 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.529 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 30' ' ' PHE . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.795 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NH1' ' HA ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.795 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.696 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.696 ' N ' HG22 ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 94' ' ' VAL . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 95' ' ' ILE . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.657 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 65' ' ' PRO . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.657 ' CE2' HG21 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 25' ' ' GLN . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.952 HG23 ' HB1' ' A' ' 37' ' ' ALA . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -135.71 131.83 19.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 152.46 40.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.442 ' CZ ' ' CG2' ' A' ' 58' ' ' VAL . 3.6 m-85 -75.83 162.98 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 79.25 2.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.68 -13.34 3.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 98' ' ' PHE . 41.3 tp -52.75 155.35 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -134.44 148.23 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.572 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 5.0 mt -134.53 150.73 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER 59.29 167.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 104' ' ' ASN . 2.0 t-20 81.91 -179.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.44 148.01 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 108' ' ' VAL . 33.4 tp -97.09 153.41 17.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.753 ' H ' HD12 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -109.59 125.36 66.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.46 -56.42 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.6 120.63 22.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -63.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -61.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 49.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -174.74 162.75 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 177.7 151.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.07 150.13 6.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -174.64 125.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -167.41 169.17 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.82 -60.19 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.09 74.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -176.09 119.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HA ' HD12 ' A' ' 13' ' ' LEU . 5.8 p-10 -59.12 -40.85 86.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.01 -50.02 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -67.03 -45.6 76.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 10' ' ' ASN . 48.8 mt -46.22 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t 64.08 -100.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' O ' HD11 ' A' ' 77' ' ' ILE . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD22 ' CD1' ' A' ' 84' ' ' LEU . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 84' ' ' LEU . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' PRO . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.825 ' O ' HG21 ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.544 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 38' ' ' ILE . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' THR . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.645 ' N ' HG22 ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' CG2' ' CZ ' ' A' ' 98' ' ' PHE . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 HD13 ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.549 ' N ' HG12 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.42 ' HE2' HG12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE2' HG21 ' A' ' 51' ' ' ILE . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.717 HD21 ' HG2' ' A' ' 70' ' ' LYS . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.504 ' CB ' HG21 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.637 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PHE . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.758 HD13 HG23 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -121.5 131.18 24.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 127.87 10.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.904 ' CD1' HD13 ' A' ' 101' ' ' LEU . 83.6 m-85 -49.09 167.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -75.02 53.77 3.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.552 1.817 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 101' ' ' LEU . . . 147.01 -48.95 0.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 98' ' ' PHE . 20.6 tp 49.62 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -145.44 134.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.487 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 1.2 mt -144.65 63.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 119.8 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.9 OUTLIER -51.92 163.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER 160.88 81.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.83 145.68 51.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -57.25 125.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -54.19 -58.01 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 80.19 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.5 14.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -39.66 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.48 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 66.7 p -147.75 123.05 10.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.31 -61.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 122.93 -175.05 16.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -178.96 170.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 124.41 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.0 170.08 13.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.59 -51.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.37 148.76 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -61.27 -33.62 73.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.59 -29.21 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LEU . 29.4 mtt180 -84.8 -42.03 15.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.4 mt -40.46 105.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -126.12 -69.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 77' ' ' ILE . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 84' ' ' LEU . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 45' ' ' LYS . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 30' ' ' PHE . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 94' ' ' VAL . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.704 HG23 HD13 ' A' ' 95' ' ' ILE . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CE2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 HD22 ' A' ' 29' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CE2' HG22 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.029 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.704 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -133.9 134.66 23.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.92 34.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 101' ' ' LEU . 3.1 m-85 -72.41 163.92 63.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.05 9.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 3.91 5.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 37.5 tp -74.05 159.58 32.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -149.56 147.24 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 103' ' ' ILE . 12.7 mt -128.75 65.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 133.57 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.23 -178.16 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 62.23 142.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.3 mp -128.57 -172.71 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.96 -39.54 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.18 150.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 95.63 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.94 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 39.83 32.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.0 t -157.47 -65.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.74 -58.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 57.84 170.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.73 82.08 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.41 177.44 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -122.79 137.93 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.28 -171.67 44.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.25 103.73 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.16 137.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.0 m-20 -56.11 -40.87 74.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.69 -38.45 72.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.19 -51.64 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 10' ' ' ASN . 16.4 mt -41.29 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t 64.15 -95.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' CD ' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' CD1' HG23 ' A' ' 77' ' ' ILE . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 HD23 ' A' ' 84' ' ' LEU . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' A' ' 46' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.972 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE3' ' HE1' ' A' ' 42' ' ' PHE . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HE3' ' A' ' 40' ' ' MET . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.669 HG11 ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.587 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CE1' HG11 ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HA ' HD11 ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.604 HG21 ' HE2' ' A' ' 69' ' ' PHE . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 94' ' ' VAL . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG23 HD13 ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' N ' HG12 ' A' ' 59' ' ' VAL . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' HD3' ' A' ' 82' ' ' ARG . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.604 ' HE2' HG21 ' A' ' 51' ' ' ILE . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD21 ' HG2' ' A' ' 70' ' ' LYS . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 22' ' ' LEU . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.434 ' O ' HD12 ' A' ' 83' ' ' ILE . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HD3' HG21 ' A' ' 67' ' ' VAL . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 79' ' ' SER . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 25' ' ' GLN . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.813 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.972 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.23 141.58 32.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.65 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 41.6 p90 -178.51 168.54 0.93 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 98' ' ' PHE . 18.0 Cg_endo -75.03 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.99 1.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 38.8 tp -79.22 162.52 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 97.2 t -148.22 145.35 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mt -135.76 -46.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -72.94 114.95 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 5.4 p-10 -39.42 134.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 163.07 70.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.5 170.99 7.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.28 77.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.5 m -170.59 173.94 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.53 159.2 30.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 160.26 40.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.0 t -43.91 -36.72 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -133.47 88.7 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 80' ' ' MET . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 28' ' ' ASP . 2.4 t30 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 HD23 ' A' ' 84' ' ' LEU . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 46' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.432 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 45' ' ' LYS . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 30' ' ' PHE . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.655 ' N ' HG22 ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 HG22 ' A' ' 94' ' ' VAL . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.699 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.472 HG21 ' HD3' ' A' ' 82' ' ' ARG . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 51' ' ' ILE . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 70' ' ' LYS . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.469 ' CB ' HG21 ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 67' ' ' VAL . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 29' ' ' LEU . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 29' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CE2' HG22 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 95' ' ' ILE . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.08 HG23 ' HB1' ' A' ' 37' ' ' ALA . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 77' ' ' ILE . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.085 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 45' ' ' LYS . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 30' ' ' PHE . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.648 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 53' ' ' ILE . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 94' ' ' VAL . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 65' ' ' PRO . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.739 ' CE2' HG21 ' A' ' 60' ' ' VAL . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.731 ' CE2' HG22 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.622 HG22 HD12 ' A' ' 95' ' ' ILE . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.085 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 93' ' ' THR . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 HG23 ' A' ' 77' ' ' ILE . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD22 HD23 ' A' ' 84' ' ' LEU . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.105 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.472 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 30' ' ' PHE . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.632 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.683 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' HG22 ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 HG22 ' A' ' 94' ' ' VAL . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 HD13 ' A' ' 95' ' ' ILE . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 65' ' ' PRO . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.683 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.636 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.755 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.423 ' CB ' HG21 ' A' ' 26' ' ' VAL . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.696 HD23 HD22 ' A' ' 29' ' ' LEU . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.635 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.105 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.723 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.723 ' HG2' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HG23 ' A' ' 77' ' ' ILE . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 33' ' ' LYS . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.992 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' PHE . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.735 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' THR . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.588 ' N ' HG22 ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 94' ' ' VAL . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.68 HG23 HD13 ' A' ' 95' ' ' ILE . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.73 HG21 ' CE2' ' A' ' 69' ' ' PHE . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG2' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.73 ' CE2' HG21 ' A' ' 60' ' ' VAL . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD21 ' HG2' ' A' ' 70' ' ' LYS . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.811 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.546 HH11 HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' ARG . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 25' ' ' GLN . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.992 HG23 ' HB1' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.805 HD12 HG23 ' A' ' 77' ' ' ILE . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 80' ' ' MET . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 34' ' ' PHE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 30' ' ' PHE . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.626 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG22 HG22 ' A' ' 94' ' ' VAL . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 95' ' ' ILE . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 51' ' ' ILE . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 70' ' ' LYS . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HD12 ' A' ' 22' ' ' LEU . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.418 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.531 ' CB ' HG21 ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 79' ' ' SER . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.65 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HG2' HG22 ' A' ' 95' ' ' ILE . 7.2 mmt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 77' ' ' ILE . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 80' ' ' MET . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.078 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.478 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.478 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.665 ' N ' HG22 ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 94' ' ' VAL . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 95' ' ' ILE . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.515 ' N ' HG12 ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.693 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.749 HG23 HD12 ' A' ' 22' ' ' LEU . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.44 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 29' ' ' LEU . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.078 HG23 ' HB1' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.807 HD13 HG23 ' A' ' 59' ' ' VAL . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.843 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.926 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 80' ' ' MET . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HB3' HG21 ' A' ' 46' ' ' VAL . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.682 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.091 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.477 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.477 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.662 ' N ' HG22 ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 HG22 ' A' ' 94' ' ' VAL . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.75 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.75 ' CE2' HG21 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.633 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD21 ' HG2' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 22' ' ' LEU . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.462 ' CG ' HG21 ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HG2' HD13 ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' MET . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.655 HD23 HD22 ' A' ' 29' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 95' ' ' ILE . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.091 HG23 ' HB1' ' A' ' 37' ' ' ALA . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.5 mmp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 77' ' ' ILE . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 87' ' ' ALA . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ALA . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.995 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.507 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.507 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.653 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 94' ' ' VAL . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.587 HG23 HD13 ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.625 HG21 ' HD3' ' A' ' 82' ' ' ARG . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 60' ' ' VAL . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 22' ' ' LEU . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HD3' HG21 ' A' ' 67' ' ' VAL . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.444 HG22 HD21 ' A' ' 29' ' ' LEU . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HD12 ' A' ' 95' ' ' ILE . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.995 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.66 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.8 mmt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 77' ' ' ILE . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 80' ' ' MET . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 46' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.779 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HA ' HD11 ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 94' ' ' VAL . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 60' ' ' VAL . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.74 HG22 ' CE2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 82' ' ' ARG . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.549 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.676 HG12 ' HB2' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 67' ' ' VAL . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 29' ' ' LEU . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.74 ' CE2' HG22 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 58' ' ' VAL . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HD11 ' A' ' 77' ' ' ILE . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.787 ' CD1' HG23 ' A' ' 77' ' ' ILE . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' CB ' ' A' ' 80' ' ' MET . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 28' ' ' ASP . 1.9 t30 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.467 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 94' ' ' VAL . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 HD13 ' A' ' 95' ' ' ILE . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.743 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.743 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 70' ' ' LYS . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.787 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.496 ' CB ' HG21 ' A' ' 26' ' ' VAL . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 58' ' ' VAL . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD12 HG23 ' A' ' 77' ' ' ILE . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 30' ' ' PHE . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.637 ' N ' HG22 ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.766 HG23 HD13 ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG2' HG21 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' PRO . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 51' ' ' ILE . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 70' ' ' LYS . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 22' ' ' LEU . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 29' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.882 HG23 ' HB1' ' A' ' 37' ' ' ALA . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.766 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 77' ' ' ILE . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CA ' ' HE3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 HG23 ' A' ' 77' ' ' ILE . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 46' ' ' VAL . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.092 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.472 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 45' ' ' LYS . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 30' ' ' PHE . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.654 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.654 ' N ' HG22 ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' PRO . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 94' ' ' VAL . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.713 HG23 HD13 ' A' ' 95' ' ' ILE . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.623 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.623 HD21 ' HG2' ' A' ' 70' ' ' LYS . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.73 ' CG1' ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' HD12 ' A' ' 83' ' ' ILE . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 79' ' ' SER . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.558 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.676 ' CE2' HG22 ' A' ' 60' ' ' VAL . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.092 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 HG23 ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG21 ' HB3' ' A' ' 30' ' ' PHE . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE1' HG11 ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.554 ' N ' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' HG13 ' A' ' 53' ' ' ILE . 7.5 p30 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD13 ' A' ' 95' ' ' ILE . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.69 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.69 HD21 ' HG2' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.844 HG23 HD12 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 25' ' ' GLN . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CD2' HG22 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.001 HG23 ' HB1' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 59' ' ' VAL . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 95' ' ' ILE . 7.4 mtp180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.685 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.739 HD22 HD23 ' A' ' 84' ' ' LEU . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.551 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LYS . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 94' ' ' VAL . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 60' ' ' VAL . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HD3' ' A' ' 82' ' ' ARG . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.512 HD21 ' HG2' ' A' ' 70' ' ' LYS . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.685 HG12 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.573 ' CB ' HG21 ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HD3' HG21 ' A' ' 67' ' ' VAL . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD22 ' A' ' 29' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 95' ' ' ILE . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.965 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' CA ' ' HE3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HD2' ' A' ' 81' ' ' ARG . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 84' ' ' LEU . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB3' HG21 ' A' ' 46' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 30' ' ' PHE . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 51' ' ' ILE . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' ILE . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.788 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.788 ' CE2' HG21 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.925 HG23 HD12 ' A' ' 22' ' ' LEU . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.936 ' HD2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG22 HD21 ' A' ' 29' ' ' LEU . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 37' ' ' ALA . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 95' ' ' ILE . 2.5 mtp180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 HG23 ' A' ' 77' ' ' ILE . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 80' ' ' MET . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 84' ' ' LEU . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.615 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.461 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' HG3' ' A' ' 40' ' ' MET . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 30' ' ' PHE . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.698 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.693 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.693 ' N ' HG22 ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 94' ' ' VAL . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG23 HD13 ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 65' ' ' PRO . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 51' ' ' ILE . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.735 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.55 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 29' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' HG22 ' A' ' 60' ' ' VAL . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 95' ' ' ILE . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.877 HG23 ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.952 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.529 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 30' ' ' PHE . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.795 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NH1' ' HA ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.795 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.696 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.696 ' N ' HG22 ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 53' ' ' ILE . 5.8 p30 -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 94' ' ' VAL . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 95' ' ' ILE . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.657 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 65' ' ' PRO . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.657 ' CE2' HG21 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 25' ' ' GLN . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.952 HG23 ' HB1' ' A' ' 37' ' ' ALA . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' O ' HD11 ' A' ' 77' ' ' ILE . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD22 ' CD1' ' A' ' 84' ' ' LEU . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 84' ' ' LEU . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' PRO . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.825 ' O ' HG21 ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.544 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 38' ' ' ILE . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' THR . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.645 ' N ' HG22 ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 HD13 ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.549 ' N ' HG12 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.42 ' HE2' HG12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE2' HG21 ' A' ' 51' ' ' ILE . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.717 HD21 ' HG2' ' A' ' 70' ' ' LYS . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.504 ' CB ' HG21 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.637 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PHE . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.758 HD13 HG23 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 77' ' ' ILE . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 84' ' ' LEU . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 45' ' ' LYS . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 30' ' ' PHE . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 94' ' ' VAL . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.704 HG23 HD13 ' A' ' 95' ' ' ILE . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CE2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 HD22 ' A' ' 29' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CE2' HG22 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.029 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.704 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.591 ' CD ' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' CD1' HG23 ' A' ' 77' ' ' ILE . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 HD23 ' A' ' 84' ' ' LEU . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' A' ' 46' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.972 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.669 HG11 ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.587 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CE1' HG11 ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HA ' HD11 ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.604 HG21 ' HE2' ' A' ' 69' ' ' PHE . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 94' ' ' VAL . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG23 HD13 ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' N ' HG12 ' A' ' 59' ' ' VAL . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' HD3' ' A' ' 82' ' ' ARG . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.604 ' HE2' HG21 ' A' ' 51' ' ' ILE . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD21 ' HG2' ' A' ' 70' ' ' LYS . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 22' ' ' LEU . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.434 ' O ' HD12 ' A' ' 83' ' ' ILE . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HD3' HG21 ' A' ' 67' ' ' VAL . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 79' ' ' SER . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 25' ' ' GLN . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.813 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.972 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -139.11 153.93 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -70.79 138.99 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 -163.84 16.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -93.74 152.27 19.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 -176.19 47.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.73 88.06 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.5 124.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -57.55 -38.47 74.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.47 -37.39 70.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' LEU . 53.1 mmt-85 -81.34 -42.13 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 16' ' ' VAL . 60.6 mt -55.52 -104.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.2 t 78.48 -71.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -74.74 -30.74 61.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HB ' HD22 ' A' ' 13' ' ' LEU . 21.9 t -77.61 -51.31 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -36.68 26.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -43.38 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.71 -57.0 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -41.75 -59.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLU . 55.2 mt-30 -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 44.4 mt -40.59 -55.64 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -44.85 -41.38 7.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.1 mt-10 -69.08 -45.99 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.62 -51.63 69.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 80' ' ' MET . 75.1 t -58.24 -56.23 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 28' ' ' ASP . 2.4 t30 -48.63 -67.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.7 OUTLIER -49.16 -51.28 33.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 HD23 ' A' ' 84' ' ' LEU . 8.3 tp -40.65 -67.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 46' ' ' VAL . 14.0 m-85 -53.0 -50.45 64.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.432 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -50.36 -51.92 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -60.34 -66.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -42.91 -54.95 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -41.61 -43.4 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.53 -44.61 6.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.93 -46.49 71.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.62 -17.01 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.3 pt -121.14 14.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.93 20.9 3.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.9 mmt -76.72 142.68 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.94 24.75 14.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.74 163.15 21.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.2 7.07 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 45' ' ' LYS . 20.9 t -105.9 163.19 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.9 pttm -60.46 141.69 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 30' ' ' PHE . 96.3 t -111.26 104.45 56.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -50.72 -37.14 39.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' THR . 6.0 tpt180 -55.64 -65.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -52.13 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.69 -66.32 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.655 ' N ' HG22 ' A' ' 52' ' ' THR . 5.3 pt -47.92 -34.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -177.57 122.43 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -27.18 10.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.33 -63.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 59.0 m -53.9 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 HG22 ' A' ' 94' ' ' VAL . 19.4 t -112.96 129.6 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 95' ' ' ILE . 58.9 t -105.73 163.97 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.699 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.7 t -136.65 123.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.91 175.89 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.3 -21.62 27.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.6 143.36 0.56 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.62 22.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.98 23.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.86 37.22 93.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.472 HG21 ' HD3' ' A' ' 82' ' ' ARG . 78.4 t -141.99 130.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.67 139.19 38.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 51' ' ' ILE . 46.0 t80 -79.51 136.71 36.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -177.62 174.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.05 151.02 17.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.06 13.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.3 p -76.45 -27.68 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -99.19 -35.56 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 70' ' ' LYS . 96.1 mt -62.46 147.79 47.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.75 170.71 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 4.6 mt -51.57 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -51.8 -45.15 63.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.0 m -53.37 -57.18 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CB ' HG21 ' A' ' 26' ' ' VAL . 37.1 mtm -50.62 -55.41 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.06 -58.66 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 67' ' ' VAL . 8.2 mtt180 -44.56 -62.79 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 29' ' ' LEU . 4.1 mt -43.92 -50.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 29' ' ' LEU . 59.4 mt -57.88 -47.99 81.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.79 -23.24 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -116.21 20.06 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.26 17.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.78 -29.27 65.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 2.7 m-85 -77.07 -36.34 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mm -42.99 145.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -157.47 155.61 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CE2' HG22 ' A' ' 60' ' ' VAL . 23.4 m-85 -140.99 120.95 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 95' ' ' ILE . 90.7 m -107.13 125.92 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.08 HG23 ' HB1' ' A' ' 37' ' ' ALA . 56.7 t -100.85 89.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -69.14 -43.29 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 2.6 ptm180 -153.37 133.99 7.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.13 42.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.704 ' HD2' HD13 ' A' ' 101' ' ' LEU . 7.0 m-85 -73.41 163.05 71.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 76.71 3.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.01 -14.41 2.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.704 HD13 ' HD2' ' A' ' 98' ' ' PHE . 26.0 tp -52.44 160.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.8 t -135.93 146.3 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 mt -130.92 152.01 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.6 t30 73.19 173.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.7 m120 63.31 -175.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.89 154.44 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -65.27 -174.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.547 ' H ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -108.05 118.49 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -124.4 -172.94 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.09 67.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.4 p -151.35 -87.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -47.52 77.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -138.29 154.2 49.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 65.82 143.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.9 161.57 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 p -177.19 155.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.09 157.5 37.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.25 105.49 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.04 156.71 6.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.83 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.8 p30 -58.23 -35.28 71.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -54.69 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.66 -41.44 96.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 10' ' ' ASN . 87.4 mt -56.38 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t 76.6 -71.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.943 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -33.84 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.28 -50.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.15 -38.41 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.45 79.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -70.07 -45.47 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -59.15 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.65 -52.67 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 77' ' ' ILE . 43.7 mt -47.29 -56.84 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -45.15 -42.63 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.4 -47.13 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.47 -49.55 76.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 72.8 t -61.64 -54.62 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.15 -59.32 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 2.0 t70 -59.28 -48.17 82.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 4.2 tp -42.38 -58.87 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.7 m-85 -58.12 -60.2 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 28' ' ' ASP . 80.7 p -39.59 -65.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.076 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -45.52 -59.54 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -52.03 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 38' ' ' ILE . 28.2 t80 -38.12 -44.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.73 -35.55 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.88 -45.18 90.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.085 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.94 -16.01 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.7 pt -119.66 13.31 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.61 20.23 3.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.7 mmt -76.36 143.6 40.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.55 26.8 10.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.9 OUTLIER -161.34 164.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 45' ' ' LYS . 15.7 t -110.46 166.32 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.8 pttt -63.07 145.14 56.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 30' ' ' PHE . 55.1 t -111.15 108.18 57.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.648 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.17 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 50.4 m-85 -56.19 -40.71 74.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.85 -68.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 53' ' ' ILE . 7.0 mttp -46.15 -45.05 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -63.12 -35.39 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.39 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.98 -33.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -179.77 120.69 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -18.5 18.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.53 -68.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 96' ' ' ARG . 95.1 m -54.24 -85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 94' ' ' VAL . 17.5 t -100.13 133.42 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 60' ' ' VAL . 90.9 t -110.0 167.69 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.9 t -133.55 125.92 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -121.48 170.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.517 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.5 -26.74 9.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -37.57 140.4 0.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.4 Cg_endo -74.97 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.5 Cg_endo -74.97 142.19 27.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.7 32.52 69.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 65' ' ' PRO . 95.8 t -137.86 114.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -88.16 147.34 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.739 ' CE2' HG21 ' A' ' 60' ' ' VAL . 54.5 t80 -85.03 140.18 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.86 165.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.22 150.9 0.59 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -33.98 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.37 -38.84 15.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.4 mt -62.35 148.08 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.23 -177.99 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.5 mt -59.95 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -53.74 -36.69 62.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 m -57.62 -55.86 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.3 mtm -57.64 -54.69 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -57.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -47.24 -65.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mt -41.68 -51.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 69.5 mt -54.96 -48.7 72.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.43 -27.59 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -110.26 20.48 17.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.7 -39.11 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 -26.82 64.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' SER . 5.9 m-85 -83.39 -38.63 21.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 mm -40.98 141.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.2 mtpt -156.99 158.8 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.731 ' CE2' HG22 ' A' ' 60' ' ' VAL . 27.9 m-85 -142.27 121.67 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.622 HG22 HD12 ' A' ' 95' ' ' ILE . 32.8 m -105.17 138.11 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.085 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.5 t -109.8 76.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 93' ' ' THR . 1.7 mp -57.68 -42.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -156.42 133.74 6.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.3 35.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.9 m-85 -77.03 163.56 64.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.93 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.25 -13.02 2.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 98' ' ' PHE . 23.6 tp -62.55 153.66 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -138.43 149.94 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 103' ' ' ILE . 12.9 mt -118.92 56.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -105.63 151.48 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 104' ' ' ASN . 0.3 OUTLIER -64.59 75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' ASN . 33.9 mt-30 -129.06 122.22 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.8 mp -57.54 174.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 107' ' ' LEU . 61.9 t -154.24 89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.1 121.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.91 177.4 0.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.35 4.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t 40.32 35.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.1 p 177.57 38.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 61.9 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.731 . . . . 0.0 110.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.5 158.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.8 -146.96 5.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -176.29 -63.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m 61.83 171.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 165.19 13.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.85 -49.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -114.53 145.92 41.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -68.93 -41.36 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -51.0 11.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 5.6 mtt-85 -64.48 -50.37 67.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 16' ' ' VAL . 65.7 mt -50.27 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t 75.88 -71.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -74.56 -32.73 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.0 t -75.06 -49.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -26.15 17.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.04 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -63.43 -49.97 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -47.61 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.47 -56.05 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 HG23 ' A' ' 77' ' ' ILE . 60.0 mt -47.85 -52.06 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -49.16 -34.57 14.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.59 -49.59 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.9 mt-30 -57.74 -43.31 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 60.6 t -64.87 -57.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -46.66 -64.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -52.46 -49.41 64.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD22 HD23 ' A' ' 84' ' ' LEU . 9.2 tp -44.27 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.4 m-85 -50.66 -48.97 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -51.5 -51.9 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -45.26 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -40.89 -44.46 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.98 -31.93 2.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.47 -45.1 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.105 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.41 -17.14 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.3 pt -117.44 14.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 20.59 3.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.472 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -76.07 149.74 37.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.63 27.79 14.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -163.47 163.68 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HG11 ' A' ' 108' ' ' VAL . 18.3 Cg_endo -75.0 122.05 6.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.32 162.58 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 158.4 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 30' ' ' PHE . 23.3 t -119.46 116.94 33.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 63.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.632 ' CE1' HG11 ' A' ' 46' ' ' VAL . 68.2 m-85 -50.25 -49.64 52.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.9 -65.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.9 mttp -45.62 -44.27 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.683 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -67.22 -35.22 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.71 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' HG22 ' A' ' 52' ' ' THR . 4.7 pt -48.14 -52.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -159.01 122.87 2.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.808 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.11 -64.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PRO . 84.7 m -54.68 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 HG22 ' A' ' 94' ' ' VAL . 22.6 t -95.31 137.67 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 HD13 ' A' ' 95' ' ' ILE . 68.8 t -110.19 163.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG22 ' CE2' ' A' ' 92' ' ' PHE . 54.9 t -138.36 123.01 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.89 176.41 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -17.29 44.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 142.12 5.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.98 146.24 32.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.6 29.65 54.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 65' ' ' PRO . 76.6 t -134.08 126.86 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.08 145.58 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.683 ' CE2' HG21 ' A' ' 51' ' ' ILE . 52.7 t80 -83.6 137.83 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.636 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 177.79 166.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.52 0.87 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -77.02 -34.93 57.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -88.6 -41.07 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 70' ' ' LYS . 68.5 mt -60.11 146.47 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 170.05 10.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.755 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -44.19 -63.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.34 -57.7 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.4 m -42.02 -62.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.423 ' CB ' HG21 ' A' ' 26' ' ' VAL . 34.5 mtm -48.76 -53.04 20.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -47.05 -53.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -61.66 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 mt -43.46 -52.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.696 HD23 HD22 ' A' ' 29' ' ' LEU . 81.9 mt -52.88 -49.56 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.6 -25.16 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.635 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -117.96 23.96 11.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.32 -38.76 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.93 -26.22 60.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 2.4 m-85 -77.84 -39.02 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 mm -41.48 151.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.8 156.12 19.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 20.7 m-85 -141.72 118.95 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -106.57 127.12 53.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.105 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.0 t -98.01 80.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.723 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.9 mp -64.72 -54.8 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.723 ' HG2' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -134.8 131.36 20.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.05 42.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.9 m-85 -78.68 163.65 59.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.35 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.762 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.84 -5.39 5.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 98' ' ' PHE . 28.4 tp -67.07 150.08 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -142.57 159.13 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . 30.7 mt -115.37 47.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.87 133.93 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.497 HD22 ' N ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -45.27 145.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' LEU . 2.5 mt-30 174.35 155.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER 44.67 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 108' ' ' VAL . 12.3 t 40.18 72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.23 111.11 2.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.772 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -90.14 39.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 p -179.19 41.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -142.5 -58.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -135.04 170.69 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.6 117.54 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.04 166.31 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -177.97 -58.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 103.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -176.75 -179.06 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.25 157.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 13' ' ' LEU . 4.7 p30 -57.74 -34.38 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.61 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' LEU . 89.8 mtt180 -66.8 -41.31 87.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 10' ' ' ASN . 64.8 mt -53.14 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.2 t 81.42 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -34.24 57.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.8 t -72.81 -48.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.84 47.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.09 -53.17 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -59.45 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -50.54 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HG23 ' A' ' 77' ' ' ILE . 58.0 mt -43.37 -57.21 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 80' ' ' MET . 97.1 mtt180 -44.19 -42.58 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.48 -47.31 79.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -59.06 -54.25 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 67.6 t -51.36 -53.11 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.52 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.56 -47.31 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 33' ' ' LYS . 1.1 tp -42.16 -66.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 46' ' ' VAL . 16.8 m-85 -52.96 -51.55 61.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.7 m -50.36 -52.53 36.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.061 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.2 mptp? -51.88 -53.7 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 72.2 t80 -40.94 -38.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -50.24 -33.89 24.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.7 -44.86 84.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.992 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -55.1 -19.04 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.8 17.0 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.68 20.43 2.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -76.29 156.45 33.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 0.767 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.87 27.86 17.79 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -162.19 164.42 17.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 t -104.23 156.43 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 4.0 pttt -54.5 156.62 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' PHE . 92.9 t -123.14 114.6 29.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.735 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.99 75.71 3.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' THR . 42.4 m-85 -57.18 -38.57 73.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.17 -66.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.8 mttp -48.67 -33.56 10.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.3 mt -76.78 -32.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -65.62 -60.13 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.588 ' N ' HG22 ' A' ' 52' ' ' THR . 4.1 pt -50.1 -52.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -156.61 117.33 2.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -23.74 13.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.36 -62.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 76.4 m -53.84 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 94' ' ' VAL . 10.6 t -102.33 128.29 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.68 HG23 HD13 ' A' ' 95' ' ' ILE . 93.3 t -104.08 167.8 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.73 HG21 ' CE2' ' A' ' 69' ' ' PHE . 79.5 t -135.58 132.92 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -131.78 170.75 14.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.524 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 89.2 -35.8 3.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.102 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG2' HG12 ' A' ' 60' ' ' VAL . 88.3 mmm -36.84 149.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.89 29.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 22.11 64.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.25 104.75 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.1 m -75.0 161.56 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.73 ' CE2' HG21 ' A' ' 60' ' ' VAL . 58.3 t80 -97.84 136.79 37.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -176.11 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.81 152.65 36.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.05 21.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.1 p -69.09 -43.87 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.2 -41.95 32.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD21 ' HG2' ' A' ' 70' ' ' LYS . 82.7 mt -59.93 143.17 52.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -87.01 172.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.811 HG23 HD12 ' A' ' 22' ' ' LEU . 4.3 mt -52.84 -60.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.9 m -47.66 -40.7 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -60.32 -54.62 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.4 mtm -55.68 -46.82 77.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.546 HH11 HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -50.63 -53.31 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ILE . 45.5 mtp180 -54.02 -65.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' ARG . 8.5 mt -39.84 -54.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 25' ' ' GLN . 63.6 mt -51.0 -51.61 51.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.45 -26.39 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.8 m -113.91 21.75 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.63 10.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -60.33 -37.93 82.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' SER . 1.7 m-85 -64.94 -40.71 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.7 mm -41.81 144.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mtmt -151.87 159.0 43.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 23.9 m-85 -144.28 118.21 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.5 m -107.03 126.32 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.992 HG23 ' HB1' ' A' ' 37' ' ' ALA . 55.0 t -99.06 84.24 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -62.84 -55.88 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -139.23 133.99 16.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.29 35.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.9 m-85 -83.68 165.93 37.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 78.32 2.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.82 -14.02 2.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 102' ' ' VAL . 23.3 tp -65.84 157.01 31.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 101' ' ' LEU . 90.2 t -155.28 146.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' ASN . 18.8 mt -115.08 -75.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 105' ' ' ASN . 1.5 t30 68.45 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER 161.9 -52.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' H ' ' ND2' ' A' ' 105' ' ' ASN . 1.1 pt20 -176.59 178.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -101.21 174.23 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.545 ' H ' HD23 ' A' ' 107' ' ' LEU . 21.9 t -149.15 59.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.79 83.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -64.24 176.99 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.72 2.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.89 106.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.11 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p 54.44 74.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -50.23 146.92 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.92 123.86 0.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -174.32 140.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -128.74 -59.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.34 179.33 22.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 178.75 126.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.04 100.43 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -64.91 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.38 -47.62 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 13' ' ' LEU . 2.4 ttp180 -77.16 -61.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' ARG . 71.8 mt -41.59 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 66.21 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -71.94 -39.23 69.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -49.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.0 26.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -46.45 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -56.24 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 46.8 mt-30 -56.56 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.805 HD12 HG23 ' A' ' 77' ' ' ILE . 60.3 mt -43.68 -50.69 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.6 mtp-105 -50.45 -39.23 47.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' GLN . 4.0 mt-10 -69.06 -44.27 72.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.3 mt-30 -64.58 -54.7 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 80' ' ' MET . 53.0 t -51.87 -55.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -47.9 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -49.73 25.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -43.99 -64.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.2 m-85 -52.28 -43.45 64.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -55.23 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -55.72 12.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 25.8 mmtt -50.5 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 34.0 t80 -35.92 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -45.32 -68.79 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 3.9 pm0 -49.16 -33.3 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -56.07 -23.67 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.6 pt -119.34 20.4 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.01 18.75 9.46 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.6 mmt -80.16 151.49 29.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 -18.71 44.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.8 163.62 18.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.3 7.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 34' ' ' PHE . 13.9 t -105.55 156.87 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -52.95 160.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 30' ' ' PHE . 57.3 t -122.42 113.4 30.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 65.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 46' ' ' VAL . 74.6 m-85 -51.05 -41.38 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.066 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.1 tpt180 -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.0 mtpp -45.77 -50.38 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.626 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -57.63 -33.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -70.44 -66.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 5.6 pt -46.52 -30.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 177.76 122.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.12 -65.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.97 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG22 HG22 ' A' ' 94' ' ' VAL . 16.0 t -100.88 134.39 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 95' ' ' ILE . 74.7 t -106.03 165.92 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -141.35 127.39 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.66 176.68 7.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.5 -30.92 5.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.143 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -41.91 151.1 0.34 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 165.46 31.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.66 26.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.26 21.92 68.73 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.21 111.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -78.59 159.64 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 51' ' ' ILE . 43.6 t80 -100.96 136.14 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.3 ptpm? -174.87 -178.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 152.07 19.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 p -72.19 -47.06 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.38 -43.05 61.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 70' ' ' LYS . 55.6 mt -59.96 145.12 47.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.3 172.74 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HD12 ' A' ' 22' ' ' LEU . 5.3 mt -51.87 -53.05 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 p -55.77 -45.3 78.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.418 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.1 m -53.94 -59.23 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.531 ' CB ' HG21 ' A' ' 26' ' ' VAL . 56.2 mtm -51.01 -54.64 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt180 -41.44 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -41.97 -61.99 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 79' ' ' SER . 5.2 mt -41.95 -54.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -52.09 -50.82 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -46.95 -25.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -121.35 36.24 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -52.93 -63.92 0.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.49 -43.48 55.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 1.7 m-85 -53.83 -43.44 69.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.9 mm -40.0 153.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -162.43 151.95 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 16.7 m-85 -140.5 117.95 11.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.8 m -106.84 127.14 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.0 t -97.92 79.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.65 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -64.03 -49.86 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HG2' HG22 ' A' ' 95' ' ' ILE . 7.2 mmt85 -136.89 130.85 17.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.7 m-85 -92.07 164.51 23.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 86.27 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.27 -6.15 5.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 98' ' ' PHE . 24.1 tp -66.93 150.56 49.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.08 160.11 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 39.5 mt -120.19 -68.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.9 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 1.6 p30 -85.13 151.0 24.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 2.2 mm-40 162.87 106.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.81 -170.09 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.9 142.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 m -83.79 151.97 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.49 99.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.99 25.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 p -40.09 -60.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.47 -61.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -171.32 166.04 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.05 167.44 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -55.49 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -42.19 -54.13 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -133.19 136.58 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.4 57.64 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 175.49 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.68 49.64 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -68.54 -28.57 67.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -62.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -51.34 -56.59 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.9 mt -38.09 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -126.3 -69.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -77.29 -18.83 57.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.8 t -88.14 -57.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -36.9 -38.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -60.31 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.73 -48.43 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -59.38 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 42.9 mt-30 -52.79 -61.74 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 77' ' ' ILE . 71.7 mt -42.42 -59.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 37.4 mtm180 -40.7 -34.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLN . 2.9 mt-10 -75.16 -48.89 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 84' ' ' LEU . 2.0 mt-30 -58.43 -55.44 34.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 80' ' ' MET . 77.5 t -50.76 -52.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -46.49 53.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.68 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 16.7 m-85 -52.4 -45.45 65.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 40.1 m -55.98 -56.62 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -50.64 -59.44 4.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -38.62 -40.99 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.11 -36.27 9.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.39 -45.22 94.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.078 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.23 -17.5 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.478 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -119.78 15.85 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.47 20.09 3.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.478 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.2 mmt -77.58 139.03 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -13.06 80.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.56 163.63 26.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' SER . 15.9 t -108.08 160.53 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -61.47 162.09 8.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -131.47 112.77 15.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.09 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 22.9 m-85 -49.38 -36.41 21.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' THR . 1.9 tpt180 -55.81 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -45.28 -55.75 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -55.43 -29.77 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -73.88 -67.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.665 ' N ' HG22 ' A' ' 52' ' ' THR . 7.2 pt -46.79 -36.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.0 p30 -176.81 125.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.611 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -75.05 -26.75 10.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.18 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 68.8 m -55.31 -88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 94' ' ' VAL . 40.5 t -98.99 137.79 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 95' ' ' ILE . 81.7 t -109.47 167.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.515 ' N ' HG12 ' A' ' 59' ' ' VAL . 54.2 t -139.9 123.56 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -123.82 175.53 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.5 -22.01 22.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.16 143.07 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 137.21 21.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.37 38.77 96.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -141.56 122.48 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.78 144.05 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 51' ' ' ILE . 61.0 t80 -82.64 139.59 33.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.693 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 175.54 164.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . . . -43.43 150.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.58 10.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.4 m -75.68 -48.92 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.92 -39.55 56.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 70' ' ' LYS . 72.1 mt -60.14 146.46 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.88 176.76 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.749 HG23 HD12 ' A' ' 22' ' ' LEU . 3.8 mt -53.11 -59.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -54.43 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.44 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.3 mtm -46.69 -50.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -53.1 -43.31 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -64.17 -66.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 29' ' ' LEU . 5.8 mt -40.23 -53.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 22' ' ' LEU . 55.8 mt -49.34 -52.35 28.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -22.39 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 90' ' ' ILE . 4.5 m -117.03 28.62 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.31 -68.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.35 -40.99 37.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -40.08 75.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.4 mm -43.43 156.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' PHE . 12.1 tttt -163.19 141.3 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.8 m-85 -131.34 120.18 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.2 m -107.21 126.63 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.078 HG23 ' HB1' ' A' ' 37' ' ' ALA . 63.3 t -98.67 86.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.807 HD13 HG23 ' A' ' 59' ' ' VAL . 3.1 mp -70.75 -54.23 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.4 132.51 20.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.66 42.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 101' ' ' LEU . 6.2 m-85 -78.52 162.48 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 78.22 2.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.8 -10.9 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 98' ' ' PHE . 46.7 tp -47.89 163.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.6 145.8 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.94 153.56 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.94 174.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -67.64 -161.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER 59.48 172.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 108' ' ' VAL . 1.9 tt 60.21 149.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.709 ' N ' HD23 ' A' ' 107' ' ' LEU . 73.3 t -42.4 134.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.1 m -155.63 126.35 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -40.75 101.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.78 5.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.82 35.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.19 47.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 111.25 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -96.83 86.99 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 107.43 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.66 94.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.49 150.7 44.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.72 -131.56 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -125.74 103.2 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -176.81 119.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -67.26 -41.74 85.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -37.96 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -79.22 -52.15 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.9 mt -41.08 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t 63.78 -92.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.54 -43.06 93.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.9 t -60.66 -53.1 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -44.03 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HE2' ' NH1' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -62.39 -31.91 72.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.843 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -75.32 -61.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.05 -61.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.12 -62.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.926 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -46.94 -50.41 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 5.9 mtm105 -53.62 -31.64 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.41 -48.34 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -58.28 -53.97 52.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 80' ' ' MET . 72.8 t -49.18 -49.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -53.66 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.19 -39.38 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -50.7 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HB3' HG21 ' A' ' 46' ' ' VAL . 19.1 m-85 -51.85 -46.58 64.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 3.2 m -55.8 -48.25 75.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.682 ' HD3' HD12 ' A' ' 29' ' ' LEU . 1.5 mptp? -50.41 -52.36 38.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -41.77 -42.93 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.63 -31.3 9.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -67.59 -44.79 77.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.091 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.47 -17.73 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.477 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -117.29 15.87 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.81 20.68 3.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.477 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.4 mmt -76.25 155.58 34.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.28 28.51 15.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.6 OUTLIER -163.02 164.1 16.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.4 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.2 t -105.52 155.57 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 14.2 mttp -54.51 153.83 5.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 48' ' ' TYR . 47.8 t -121.73 115.71 30.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.0 72.41 4.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 46' ' ' VAL . 31.7 m-85 -52.96 -36.71 60.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' THR . 7.1 tpt180 -55.97 -67.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -44.76 -53.47 7.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -54.45 -34.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.68 -67.32 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.662 ' N ' HG22 ' A' ' 52' ' ' THR . 3.9 pt -46.79 -35.28 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -178.4 124.28 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -20.2 17.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.29 -68.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 m -54.19 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 HG22 ' A' ' 94' ' ' VAL . 44.8 t -98.78 140.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' VAL . 89.5 t -113.49 166.26 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.75 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.1 t -136.72 122.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.3 175.87 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.98 -31.23 5.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.8 mmm -39.22 151.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 167.08 27.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.53 25.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.81 21.58 67.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.69 111.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 p -78.36 164.53 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.75 ' CE2' HG21 ' A' ' 60' ' ' VAL . 59.3 t80 -104.1 138.98 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.633 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.92 169.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.6 151.07 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -46.32 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.97 -40.51 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.633 HD21 ' HG2' ' A' ' 70' ' ' LYS . 65.9 mt -60.07 141.63 55.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -83.15 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 22' ' ' LEU . 6.1 mt -57.56 -60.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 p -50.25 -43.8 53.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -55.47 -58.78 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.462 ' CG ' HG21 ' A' ' 26' ' ' VAL . 60.2 mtm -50.25 -54.53 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HG2' HD13 ' A' ' 22' ' ' LEU . 2.2 mtm-85 -39.98 -61.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.9 mtp85 -44.4 -65.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' MET . 6.3 mt -39.62 -54.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.655 HD23 HD22 ' A' ' 29' ' ' LEU . 66.3 mt -51.6 -50.98 59.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -20.09 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' PHE . 1.4 m -109.32 13.77 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.06 -42.47 18.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.0 -29.65 70.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' SER . 9.1 m-85 -84.5 -40.97 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' PHE . 6.0 mm -39.97 142.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -159.02 158.05 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 26.9 m-85 -140.86 120.86 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 95' ' ' ILE . 65.4 m -104.99 137.53 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.091 HG23 ' HB1' ' A' ' 37' ' ' ALA . 61.7 t -107.19 84.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.8 mp -68.74 -55.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.5 mmp_? -134.01 133.21 21.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.22 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.67 ' HD2' HD13 ' A' ' 101' ' ' LEU . 5.6 m-85 -80.38 163.43 56.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.61 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.5 -5.6 5.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 98' ' ' PHE . 33.6 tp -60.15 159.28 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 101' ' ' LEU . 84.1 t -153.55 148.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 103' ' ' ILE . 31.5 mt -123.69 57.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.62 148.59 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -55.33 156.35 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 1.4 mm-40 164.63 117.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -51.01 172.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.02 124.47 67.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 p -63.82 125.32 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.04 65.51 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -75.01 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -38.23 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.35 42.78 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 166.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -173.98 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.34 -148.87 6.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -168.21 -62.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 0.807 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -178.74 129.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.95 -107.92 2.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.77 97.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.5 100.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -57.89 -49.68 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -52.54 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.7 mtt180 -68.83 -58.98 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' ARG . 68.0 mt -43.51 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 t 68.07 -75.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -42.45 58.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.77 -47.6 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -30.82 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -55.55 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -58.6 -52.06 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -63.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -54.23 -56.82 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 77' ' ' ILE . 18.7 mt -43.91 -52.81 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -50.22 -41.61 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.94 -46.22 78.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.7 mt-30 -59.43 -58.91 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 75.2 t -49.07 -58.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -41.86 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -55.11 -51.91 64.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 87' ' ' ALA . 4.2 tp -40.43 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 11.0 m-85 -49.23 -45.3 44.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -55.87 -52.17 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.08 -63.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -43.66 -63.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ALA . 46.8 t80 -39.24 -44.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.38 -37.84 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.81 -43.95 87.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.995 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.49 -17.86 9.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.507 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.2 pt -118.66 15.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.32 20.35 3.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.507 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.6 mmt -76.56 146.3 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.37 32.0 6.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -167.78 164.57 8.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.21 6.42 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 t -109.55 154.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -48.78 151.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 86.4 t -118.93 120.2 31.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.01 64.92 6.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 42.1 m-85 -48.54 -53.52 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.64 -65.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 53' ' ' ILE . 1.7 mttp -44.33 -49.44 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -61.72 -36.16 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.61 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.653 ' N ' HG22 ' A' ' 52' ' ' THR . 7.4 pt -45.92 -44.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.5 p30 -166.06 119.83 0.88 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -23.25 14.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.64 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' PRO . 61.7 m -54.99 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 94' ' ' VAL . 12.9 t -103.97 138.84 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.587 HG23 HD13 ' A' ' 95' ' ' ILE . 52.7 t -111.95 162.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 57.8 t -134.64 126.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LYS . 11.7 m-20 -127.66 176.07 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.59 -34.57 3.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.5 mmm -38.32 151.1 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 144.7 30.73 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.98 25.5 64.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.625 HG21 ' HD3' ' A' ' 82' ' ' ARG . 84.1 t -132.06 104.49 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.71 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 60' ' ' VAL . 40.8 t80 -88.35 134.13 33.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.7 ptpm? -177.09 175.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 150.75 7.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.12 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.64 61.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.15 -38.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 70' ' ' LYS . 48.7 mt -63.82 145.62 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -87.04 174.13 8.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 22' ' ' LEU . 5.0 mt -53.21 -55.79 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 t -51.72 -49.85 61.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.5 m -49.59 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtm -53.29 -51.26 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.81 -55.1 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HD3' HG21 ' A' ' 67' ' ' VAL . 4.9 mtp85 -51.61 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.444 HG22 HD21 ' A' ' 29' ' ' LEU . 7.5 mt -39.44 -54.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 22' ' ' LEU . 56.4 mt -52.16 -53.77 38.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -25.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.4 34.67 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -54.33 -49.82 68.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.82 -33.33 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.92 -39.3 93.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.6 mm -41.55 150.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.9 ttpt -155.5 145.99 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 13.5 m-85 -136.79 117.97 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HD12 ' A' ' 95' ' ' ILE . 85.7 m -106.71 127.3 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.995 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.3 t -98.09 87.17 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.66 HG22 ' HG2' ' A' ' 96' ' ' ARG . 1.7 mp -69.75 -49.85 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 95' ' ' ILE . 1.8 mmt180 -138.91 133.36 16.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 159.2 42.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.7 m-85 -87.21 167.1 22.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.51 2.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.4 -12.47 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 98' ' ' PHE . 23.3 tp -68.17 146.39 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.95 146.66 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' HG22 ' A' ' 38' ' ' ILE . 5.4 mt -124.62 53.16 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.475 ' ND2' ' CG ' ' A' ' 105' ' ' ASN . 10.3 t30 -178.92 165.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.475 ' CG ' ' ND2' ' A' ' 104' ' ' ASN . 23.4 m120 62.09 46.62 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 25.3 pt20 44.6 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -109.73 -175.49 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -108.78 106.17 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 p -178.65 167.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.67 72.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.9 m -134.2 -53.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 p -92.37 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -177.24 154.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -161.36 143.09 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.28 114.61 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -146.23 120.8 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -156.05 137.45 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 101.24 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.73 142.05 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -132.87 126.3 31.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -66.56 -29.35 69.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -37.22 62.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -83.56 -41.75 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD13 ' HG2' ' A' ' 17' ' ' GLU . 39.1 mt -52.65 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t 63.77 -93.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -44.58 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.3 t -61.87 -54.52 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -41.31 -33.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -48.83 53.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.65 -48.7 71.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -57.08 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -56.15 -57.13 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 77' ' ' ILE . 87.8 mt -47.0 -53.88 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' N ' ' SD ' ' A' ' 80' ' ' MET . 18.8 mtm180 -44.13 -38.69 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -50.13 48.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.03 -49.92 75.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 80' ' ' MET . 63.0 t -57.89 -56.0 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -47.03 -65.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.77 -48.87 69.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD22 HD23 ' A' ' 84' ' ' LEU . 5.3 tp -41.23 -64.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 46' ' ' VAL . 17.0 m-85 -55.04 -49.63 71.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -52.73 -47.15 67.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -62.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 26.4 mmtt -51.48 -36.63 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 48.7 t80 -65.87 -26.24 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.52 7.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 pt-20 -48.34 -35.4 12.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.779 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.92 -25.57 57.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HG3' ' A' ' 40' ' ' MET . 2.1 pt -117.04 19.59 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.21 19.38 5.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.23 147.82 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.28 32.12 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.56 163.52 9.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.56 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.39 158.05 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -45.95 167.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 77.7 t -130.71 108.4 15.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.78 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 54.2 m-85 -46.87 -46.93 21.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -59.44 -67.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HA ' HD11 ' A' ' 53' ' ' ILE . 2.8 mttp -45.31 -38.3 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.18 -38.51 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.38 -63.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 50' ' ' LYS . 4.7 pt -45.83 -53.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' ND2' HG13 ' A' ' 53' ' ' ILE . 11.1 p30 -153.15 120.17 3.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.04 -31.04 6.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.626 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.85 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.4 m -54.64 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 94' ' ' VAL . 46.8 t -114.12 141.38 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 60' ' ' VAL . 16.2 t -114.43 171.91 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.74 HG22 ' CE2' ' A' ' 92' ' ' PHE . 55.1 t -148.14 114.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.81 -174.7 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.27 -3.68 65.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 138.9 92.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.1 Cg_endo -75.09 139.97 24.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.99 28.35 68.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 82' ' ' ARG . 95.9 t -133.51 117.73 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -93.2 148.38 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 60' ' ' VAL . 47.0 t80 -83.23 139.2 33.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.549 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 178.02 176.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.11 151.01 13.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.91 19.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -33.24 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -90.06 -38.58 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 70' ' ' LYS . 66.7 mt -63.03 147.21 51.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.48 -173.27 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.676 HG12 ' HB2' ' A' ' 19' ' ' ALA . 6.5 mt -65.24 -59.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.38 -48.27 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 m -51.08 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 26' ' ' VAL . 35.6 mtm -39.48 -51.13 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -48.95 -54.29 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 67' ' ' VAL . 7.5 mtt180 -50.59 -62.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 29' ' ' LEU . 5.6 mt -43.56 -52.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD23 HD22 ' A' ' 29' ' ' LEU . 86.8 mt -54.04 -47.87 71.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -49.12 -26.91 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -116.41 25.11 10.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.942 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.92 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 89' ' ' PHE . 15.4 pt-20 -71.65 -26.19 62.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 54.1 m-85 -83.94 -39.66 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PHE . 16.4 mm -39.95 131.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.7 158.78 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.74 ' CE2' HG22 ' A' ' 60' ' ' VAL . 25.5 m-85 -142.33 118.74 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 86.9 m -106.89 143.02 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.91 HG22 HG22 ' A' ' 58' ' ' VAL . 88.0 t -122.74 88.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -65.87 -52.02 54.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.97 135.05 19.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HB3' HD23 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.04 166.31 29.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.8 m-85 -81.06 163.29 56.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 79.42 2.67 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.29 -9.83 4.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 98' ' ' PHE . 48.8 tp -53.73 162.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.4 t -143.98 147.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 103' ' ' ILE . 35.6 mt -119.43 55.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -149.8 160.01 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' ND2' ' N ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -44.08 -43.16 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' N ' ' ND2' ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.77 93.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.6 168.79 11.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 109' ' ' SER . 53.3 t -121.02 82.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.4 OUTLIER 160.07 -58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.49 154.13 5.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 72.23 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -65.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.9 t -79.26 -71.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -152.22 85.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -145.25 158.43 43.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.78 123.65 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.18 120.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 152.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -116.69 99.51 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -174.21 132.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -58.45 -35.63 72.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.99 -51.63 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -65.66 -42.89 90.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 17' ' ' GLU . 33.6 mt -55.05 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.35 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.8 tmtt? -69.55 -22.2 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 13' ' ' LEU . 21.7 t -87.9 -52.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.646 ' HG2' HD13 ' A' ' 13' ' ' LEU . 2.0 mm-40 -48.91 -41.85 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -45.34 75.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -59.55 -60.54 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -67.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' LEU . 64.1 mt-30 -43.96 -61.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.226 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.787 ' CD1' HG23 ' A' ' 77' ' ' ILE . 59.1 mt -40.41 -62.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' N ' ' SD ' ' A' ' 80' ' ' MET . 41.5 mtm180 -40.51 -46.33 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.36 -51.32 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -53.96 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' CB ' ' A' ' 80' ' ' MET . 86.4 t -55.44 -53.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 28' ' ' ASP . 1.9 t30 -51.25 -67.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.467 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -49.3 -50.05 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 84' ' ' LEU . 6.1 tp -40.77 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -49.96 -41.95 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -53.89 52.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -61.5 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 66.7 mmtt -49.54 -58.91 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.3 t80 -44.37 -31.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -50.03 -69.26 1.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.7 pt-20 -47.44 -34.19 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -54.87 -22.61 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.5 pt -119.74 20.18 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.68 19.13 6.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.7 mmt -78.85 143.6 35.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 37.06 3.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -172.8 164.31 3.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.94 155.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 3.1 mmtp -52.04 162.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 48' ' ' TYR . 61.5 t -128.34 111.73 19.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 65.25 6.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 46' ' ' VAL . 69.1 m-85 -47.58 -32.81 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 52' ' ' THR . 12.8 tpt180 -58.86 -68.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' A' ' 53' ' ' ILE . 18.6 mttt -48.35 -45.74 35.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -59.58 -31.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -72.07 -66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.675 ' N ' HG22 ' A' ' 52' ' ' THR . 3.0 pt -45.95 -41.44 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -169.8 121.88 0.61 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -23.84 13.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.16 -66.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 57.8 m -54.43 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 94' ' ' VAL . 14.0 t -94.52 129.14 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 HD13 ' A' ' 95' ' ' ILE . 59.9 t -104.01 164.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.743 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.7 t -141.13 124.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.63 176.17 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.07 -31.89 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.8 mmm -42.28 150.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 145.62 31.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.59 23.12 58.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 82' ' ' ARG . 91.5 t -130.78 106.66 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 p -76.46 157.4 32.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.743 ' CE2' HG21 ' A' ' 60' ' ' VAL . 31.4 t80 -96.72 138.07 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -179.15 171.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.22 152.16 0.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.46 20.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 t -73.01 -43.75 61.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -76.37 -38.78 55.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 70' ' ' LYS . 58.8 mt -64.41 154.62 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.71 172.72 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.787 HG23 ' CD1' ' A' ' 22' ' ' LEU . 4.0 mt -51.67 -62.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 t -48.09 -42.06 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 t -60.03 -52.46 65.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.496 ' CB ' HG21 ' A' ' 26' ' ' VAL . 59.1 mtm -55.73 -56.86 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -54.96 3.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 69.7 mtp180 -49.56 -64.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mt -43.16 -51.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 22' ' ' LEU . 73.1 mt -54.92 -47.67 74.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.17 -24.09 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -112.59 19.75 17.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.38 -41.42 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.38 -28.85 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.7 m-85 -78.16 -39.55 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.5 mm -39.59 148.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 151.44 14.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 60' ' ' VAL . 22.7 m-85 -138.94 118.34 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 95' ' ' ILE . 88.3 m -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.707 HG22 HG22 ' A' ' 58' ' ' VAL . 57.0 t -97.15 78.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -59.25 -54.53 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -144.95 133.06 10.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.4 Cg_endo -75.0 168.54 24.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.1 m-85 -84.35 166.18 34.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.52 0.32 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.583 1.177 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.629 HD22 ' CD2' ' A' ' 98' ' ' PHE . 24.9 tp -76.48 160.41 29.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 101' ' ' LEU . 97.9 t -153.22 148.12 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 103' ' ' ILE . 59.7 mt -107.48 64.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -151.66 145.35 25.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.64 147.43 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.58 28.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -58.7 139.72 55.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.692 ' HB ' HD22 ' A' ' 107' ' ' LEU . 39.3 t 44.51 92.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.26 147.78 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.91 101.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.11 6.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -80.03 60.19 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.67 -58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.022 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -40.21 -58.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 63.71 123.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 162.1 24.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 104.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -123.29 139.64 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.43 159.29 1.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.33 168.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.59 147.8 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 13' ' ' LEU . 35.3 m-20 -63.8 -41.25 97.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.19 -49.58 22.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -65.36 -46.84 78.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD22 ' HB ' ' A' ' 16' ' ' VAL . 69.7 mt -51.32 -99.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 5.5 t 78.07 -71.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.6 OUTLIER -74.68 -32.47 62.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.0 t -75.6 -49.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.96 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -52.84 21.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -58.76 -52.71 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -46.31 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -43.53 -52.25 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD12 HG23 ' A' ' 77' ' ' ILE . 70.5 mt -55.78 -57.92 10.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -39.93 -54.2 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.38 -57.72 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 1.7 mt-30 -48.51 -48.6 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 86.7 t -62.07 -59.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -44.87 -60.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.27 -48.42 78.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -44.11 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.1 m-85 -49.11 -39.47 28.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 2.0 m -63.99 -54.59 32.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.052 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' GLY . 65.0 mmtt -50.16 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 58.1 t80 -40.45 -28.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' LYS . . . -49.22 -64.86 3.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -48.79 -34.57 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.88 -23.08 42.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.8 pt -119.73 18.47 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.53 19.32 6.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mmt -78.74 144.82 34.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.75 33.25 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -167.31 163.35 10.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.2 t -102.55 156.13 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 161.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 30' ' ' PHE . 95.6 t -128.83 104.92 18.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.56 4.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -48.74 -39.49 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 3.3 tpt180 -55.76 -61.96 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 53' ' ' ILE . 8.6 mmtt -46.36 -49.96 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.6 mt -62.38 -30.17 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -74.13 -64.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.452 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.637 ' N ' HG22 ' A' ' 52' ' ' THR . 4.9 pt -45.82 -34.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.6 p30 -176.18 122.97 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.97 -33.95 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.9 m -53.86 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 51' ' ' ILE . 13.7 t -95.8 133.27 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.766 HG23 HD13 ' A' ' 95' ' ' ILE . 59.1 t -108.76 167.56 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.7 t -142.13 124.15 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.83 174.15 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.6 -21.08 27.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.45 139.18 2.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG2' HG21 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.05 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.11 25.04 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.08 35.37 91.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' PRO . 83.1 t -136.28 131.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.18 129.5 53.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 51' ' ' ILE . 40.3 t80 -71.55 133.9 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.8 ptpm? -176.61 177.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.72 150.48 18.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -33.16 57.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -90.91 -35.84 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 70' ' ' LYS . 92.1 mt -64.72 145.97 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.88 168.79 13.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 22' ' ' LEU . 4.5 mt -50.83 -60.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.7 -47.62 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -50.36 -58.48 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.1 mtm -50.28 -49.25 53.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -50.85 -44.43 59.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -59.29 -57.85 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.58 -48.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 29' ' ' LEU . 63.7 mt -59.35 -46.76 87.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -24.37 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.23 21.33 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.69 -29.69 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -29.71 59.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 38.4 m-85 -81.69 -37.76 26.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mm -41.6 144.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 158.92 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' A' ' 60' ' ' VAL . 26.7 m-85 -141.28 119.87 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 m -105.94 127.24 53.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.882 HG23 ' HB1' ' A' ' 37' ' ' ALA . 74.0 t -95.8 78.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.766 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -63.08 -53.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -138.1 133.57 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.93 39.72 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HD2' HD13 ' A' ' 101' ' ' LEU . 3.3 m-85 -81.64 163.51 53.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.83 2.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.88 -12.56 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 98' ' ' PHE . 25.3 tp -61.47 160.41 11.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 101' ' ' LEU . 98.1 t -152.79 148.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 103' ' ' ILE . 49.5 mt -115.73 50.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -95.09 119.35 33.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -53.12 -173.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LEU . 4.2 mm-40 41.01 48.35 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' GLN . 0.4 OUTLIER 38.98 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.41 82.73 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -42.96 137.51 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.25 -158.56 10.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -59.66 -53.79 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -67.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.04 -59.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.39 132.51 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.9 103.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.28 131.65 55.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.73 -179.64 37.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -121.03 96.18 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.66 104.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.587 ' HA ' HD12 ' A' ' 13' ' ' LEU . 7.4 p30 -67.66 -28.73 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -32.65 65.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -89.96 -41.17 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.819 HD13 ' HG2' ' A' ' 17' ' ' GLU . 82.4 mt -48.38 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t 63.65 -88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 77' ' ' ILE . 3.6 tttt -63.82 -49.08 74.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' ALA . 40.9 t -61.13 -47.01 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.819 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -45.78 -24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CA ' ' HE3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.08 -37.28 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 77' ' ' ILE . . . -74.41 -54.17 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 4.4 ptm85 -43.32 -41.29 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.1 mt-30 -82.7 -52.72 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 HG23 ' A' ' 77' ' ' ILE . 16.6 mt -44.94 -39.76 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -59.27 -39.77 83.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 3.7 mt-10 -69.18 -45.17 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.19 -48.83 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.13 -52.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.43 -62.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.09 -45.61 75.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -43.47 -65.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 46' ' ' VAL . 15.0 m-85 -52.99 -52.63 57.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 41.7 m -50.59 -48.59 57.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -52.74 -69.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -52.85 -52.89 55.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 49.3 t80 -38.05 -38.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 38' ' ' ILE . . . -48.89 -44.86 31.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -51.63 -46.59 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.092 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -58.64 -17.18 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.6 pt -121.17 14.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.11 20.75 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.472 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.94 147.55 34.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.23 30.24 8.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.8 OUTLIER -165.14 163.78 13.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.3 Cg_endo -74.96 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 45' ' ' LYS . 40.0 t -103.44 165.69 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -60.83 150.06 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 30' ' ' PHE . 61.5 t -121.75 115.2 30.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 74.31 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CE1' ' HB ' ' A' ' 46' ' ' VAL . 29.3 m-85 -54.45 -41.89 69.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -56.63 -68.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 53' ' ' ILE . 3.4 mttp -46.94 -44.55 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.5 mt -62.26 -34.32 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.654 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -69.57 -64.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.404 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.654 ' N ' HG22 ' A' ' 52' ' ' THR . 6.4 pt -46.64 -36.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 -175.0 122.04 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -74.98 -24.51 12.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.13 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' PRO . 74.2 m -55.24 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 94' ' ' VAL . 14.6 t -109.59 129.79 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.713 HG23 HD13 ' A' ' 95' ' ' ILE . 48.3 t -104.29 164.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.7 t -140.02 125.89 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -129.07 177.31 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.05 -24.35 13.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.9 mmm -45.19 152.92 0.57 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.08 23.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.71 23.48 72.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.26 116.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -82.03 165.66 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.4 t80 -107.46 137.46 45.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.623 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -174.83 -170.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.13 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.62 12.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -41.04 45.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -83.1 -36.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.623 HD21 ' HG2' ' A' ' 70' ' ' LYS . 53.2 mt -63.83 153.24 37.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.35 168.9 9.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.73 ' CG1' ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -43.95 -63.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 m -46.57 -51.36 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' HD12 ' A' ' 83' ' ' ILE . 9.7 t -49.72 -50.1 45.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 mtm -63.12 -54.2 41.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -46.82 -37.04 8.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -68.26 -66.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 79' ' ' SER . 5.1 mt -41.66 -53.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD22 ' A' ' 22' ' ' LEU . 60.7 mt -49.95 -52.0 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -47.54 -25.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.558 ' HG ' ' HD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -120.29 35.17 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.91 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -43.72 -41.36 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HD2' ' HG ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -55.58 -41.54 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -43.12 157.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -161.58 153.06 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.676 ' CE2' HG22 ' A' ' 60' ' ' VAL . 20.4 m-85 -140.8 117.92 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -105.17 125.89 51.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.092 HG23 ' HB1' ' A' ' 37' ' ' ALA . 73.5 t -99.05 83.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -65.77 -37.35 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -161.04 133.98 4.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.335 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.4 12.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD2' HD22 ' A' ' 101' ' ' LEU . 3.0 m-85 -91.56 164.51 24.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.63 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.79 -7.75 4.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 98' ' ' PHE . 26.7 tp -67.7 155.67 38.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 103' ' ' ILE . 42.8 t -135.76 161.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' HG12 ' A' ' 102' ' ' VAL . 6.7 mt -123.78 157.67 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.92 163.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -60.17 -46.66 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -58.52 119.79 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -119.95 178.81 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.779 ' N ' HD22 ' A' ' 107' ' ' LEU . 72.6 t -114.85 117.79 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.7 t 63.33 111.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 152.39 97.25 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.79 8.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 m -47.33 -62.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.4 p -114.29 81.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.23 149.92 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.42 104.25 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.07 -61.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m 53.91 103.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.75 83.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -157.93 128.02 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.13 108.47 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.46 -41.86 79.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -43.77 -37.36 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -76.54 -45.2 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 4.6 mt -42.54 105.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -122.93 -69.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.12 -20.0 46.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 43.0 t -86.48 -54.85 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -36.91 -38.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -57.87 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -50.43 -57.26 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.36 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -44.33 -54.93 5.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 HG23 ' A' ' 77' ' ' ILE . 81.2 mt -53.77 -61.13 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' SD ' ' A' ' 80' ' ' MET . 28.9 mtm180 -38.75 -52.3 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.49 -56.05 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -52.6 -45.81 66.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.92 -59.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -46.58 -61.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.51 -48.46 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 9.3 tp -44.91 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HG21 ' A' ' 46' ' ' VAL . 10.5 m-85 -46.35 -37.33 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -65.7 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -45.61 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 mmtt -59.18 -68.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 35.6 t80 -36.29 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -46.07 -59.63 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -50.45 -33.38 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.49 -22.5 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -117.86 -2.43 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 69.89 18.91 74.78 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.7 mmt -75.65 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.21 -13.88 59.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 164.09 27.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.38 8.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.01 161.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -49.96 161.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG21 ' HB3' ' A' ' 30' ' ' PHE . 24.5 t -122.32 116.87 29.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.97 67.58 5.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE1' HG11 ' A' ' 46' ' ' VAL . 77.3 m-85 -58.65 -54.52 46.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -48.91 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 53' ' ' ILE . 6.2 mttm -60.11 -51.95 67.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -59.3 -16.59 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -92.52 -64.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.554 ' N ' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -50.7 -24.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' HG13 ' A' ' 53' ' ' ILE . 7.5 p30 175.57 108.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -26.52 10.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.4 -62.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 18.0 m -54.22 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 51' ' ' ILE . 40.8 t -94.35 137.34 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD13 ' A' ' 95' ' ' ILE . 58.6 t -111.78 166.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 92' ' ' PHE . 55.3 t -139.53 122.68 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.78 175.25 5.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.3 -18.61 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.34 142.81 2.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.01 166.59 28.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.99 22.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.58 29.74 74.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 64' ' ' PRO . 79.1 t -133.14 117.35 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.408 ' HB2' ' CE ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -87.8 143.95 26.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 51' ' ' ILE . 45.8 t80 -86.15 136.06 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.69 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.3 ptpt -178.95 173.07 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.33 151.99 17.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.69 20.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 t -73.08 -20.87 60.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -105.7 -34.98 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.69 HD21 ' HG2' ' A' ' 70' ' ' LYS . 86.2 mt -62.62 151.83 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.76 163.22 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.844 HG23 HD12 ' A' ' 22' ' ' LEU . 4.7 mt -47.85 -50.43 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.7 p -54.63 -56.56 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -46.47 -63.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 23' ' ' ARG . 47.5 mtm -41.72 -56.84 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -44.14 -48.63 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' ILE . 2.0 mtt180 -55.3 -66.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' ARG . 14.3 mt -39.44 -54.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 25' ' ' GLN . 65.2 mt -50.65 -50.82 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.02 -26.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 37.15 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -53.88 -70.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.08 -35.99 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -37.08 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.2 mm -47.89 153.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -162.04 150.14 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CD2' HG22 ' A' ' 60' ' ' VAL . 15.1 m-85 -136.03 118.04 15.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -102.94 126.69 50.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.001 HG23 ' HB1' ' A' ' 37' ' ' ALA . 70.0 t -97.22 72.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 59' ' ' VAL . 2.6 mp -57.94 -53.55 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 95' ' ' ILE . 7.4 mtp180 -140.68 129.85 13.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.39 42.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.5 m-85 -78.87 165.7 47.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 83.16 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.0 -2.27 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.59 HD22 ' CD2' ' A' ' 98' ' ' PHE . 38.5 tp -73.42 161.07 30.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.426 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 22.2 t -132.48 162.46 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' O ' ' HE2' ' A' ' 40' ' ' MET . 30.2 mm -97.73 -52.63 8.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 5.2 p-10 -116.46 161.73 18.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -41.38 153.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 177.7 78.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.33 177.17 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 108' ' ' VAL . 41.7 t 43.6 78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -108.12 111.3 23.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -126.85 172.27 18.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -151.24 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -91.55 -58.57 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.65 126.11 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -161.89 144.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.07 145.26 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.29 146.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.42 168.47 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.93 -115.72 2.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 56.38 169.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.75 147.37 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' A' ' 13' ' ' LEU . 16.1 m-80 -64.93 -35.79 82.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.55 14.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -87.08 -43.75 12.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 17' ' ' GLU . 86.7 mt -48.61 -85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 t 63.85 -96.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -43.62 80.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ALA . 24.4 t -64.71 -51.57 65.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -43.28 -29.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.38 50.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.685 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -65.4 -54.69 24.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -53.96 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -61.23 -54.25 46.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 84' ' ' LEU . 59.9 mt -50.08 -46.27 53.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtm-85 -50.88 -31.36 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -49.82 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.7 mt-30 -58.21 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 80' ' ' MET . 76.9 t -58.09 -49.57 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -56.09 -69.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.68 -46.14 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.739 HD22 HD23 ' A' ' 84' ' ' LEU . 10.1 tp -43.96 -65.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -54.5 -49.0 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -52.25 -54.91 25.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -45.81 -53.12 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.1 t80 -46.48 -46.18 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -43.45 -31.01 1.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.2 -44.91 71.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -57.81 -16.31 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.551 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.8 pt -117.9 13.16 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.55 21.43 3.21 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.551 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.24 155.99 36.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.44 24.46 32.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.79 163.26 19.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LYS . 19.9 t -101.95 163.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.7 mttt -62.03 148.78 42.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' CE1' ' A' ' 48' ' ' TYR . 71.0 t -119.24 109.21 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.6 5.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CE1' ' CG1' ' A' ' 46' ' ' VAL . 46.2 m-85 -47.39 -37.21 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.86 -66.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' ASN . 15.9 mttt -45.41 -52.63 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -57.43 -34.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -64.79 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' N ' HG22 ' A' ' 52' ' ' THR . 17.7 pt -50.32 -27.41 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER 170.23 136.6 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.626 ' O ' ' N ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.03 -55.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . 28.82 -87.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.0 m -52.22 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 94' ' ' VAL . 24.6 t -93.73 136.61 24.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 60' ' ' VAL . 44.5 t -116.15 168.69 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.1 t -139.72 127.03 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.45 -179.81 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.29 -6.42 60.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 143.89 73.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.24 25.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 139.06 23.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.45 29.09 74.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HD3' ' A' ' 82' ' ' ARG . 45.4 t -136.85 127.51 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -98.15 157.02 16.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CE2' HG21 ' A' ' 60' ' ' VAL . 65.0 t80 -95.81 137.18 35.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.5 ptpm? -175.9 -169.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.69 96.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -76.92 -32.63 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -93.52 -39.85 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.512 HD21 ' HG2' ' A' ' 70' ' ' LYS . 68.5 mt -59.97 145.22 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.72 178.15 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.685 HG12 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mt -54.09 -65.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -43.31 -43.7 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -59.27 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.573 ' CB ' HG21 ' A' ' 26' ' ' VAL . 47.1 mtm -42.52 -46.16 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -50.75 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HD3' HG21 ' A' ' 67' ' ' VAL . 10.2 mtt180 -37.75 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' ARG . 4.4 mt -40.01 -53.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD22 ' A' ' 29' ' ' LEU . 79.6 mt -59.03 -48.15 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.62 -23.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -119.29 23.22 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.76 9.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -28.05 60.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' SER . 29.4 m-85 -83.11 -39.19 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 86' ' ' SER . 15.7 mm -41.15 139.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -153.06 159.41 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 24.5 m-85 -141.2 118.27 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 95' ' ' ILE . 87.4 m -106.36 132.8 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.965 HG23 ' HB1' ' A' ' 37' ' ' ALA . 69.4 t -111.29 85.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.5 mp -64.96 -49.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 ptp180 -149.0 134.81 9.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.3 Cg_endo -74.94 163.65 35.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.7 m-85 -76.49 164.72 57.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 81.02 2.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.17 -8.88 4.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' A' ' 98' ' ' PHE . 27.1 tp -67.19 157.9 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.3 t -141.3 146.93 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 103' ' ' ILE . 26.0 mt -116.23 52.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.527 HD22 ' ND2' ' A' ' 105' ' ' ASN . 0.9 OUTLIER 172.86 178.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.527 ' ND2' HD22 ' A' ' 104' ' ' ASN . 14.1 m-20 47.2 -163.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 63.34 32.27 14.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 109' ' ' SER . 0.8 OUTLIER -56.91 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' N ' ' A' ' 109' ' ' SER . 2.5 t 64.71 -76.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.632 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.0 OUTLIER 86.44 170.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.95 153.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -49.39 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.73 79.68 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.047 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 45.49 80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.75 123.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -88.39 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.57 85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.955 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.9 162.99 30.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.94 69.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -158.79 150.04 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.42 104.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 13' ' ' LEU . 5.5 m120 -63.35 -25.91 68.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.62 -54.17 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' LEU . 8.1 mmt180 -62.55 -43.13 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' HB ' ' A' ' 16' ' ' VAL . 58.3 mt -54.63 -103.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.9 t 79.52 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -29.11 61.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 13' ' ' LEU . 22.4 t -79.38 -51.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -25.73 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' CA ' ' HE3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.34 -50.82 20.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -57.21 -50.98 71.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -63.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.34 -52.45 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HD2' ' A' ' 81' ' ' ARG . 53.2 mt -53.95 -61.57 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' N ' ' SD ' ' A' ' 80' ' ' MET . 4.8 mtm180 -38.76 -57.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -51.85 -57.52 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -49.6 -59.76 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 59.1 t -47.07 -60.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -40.66 -69.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -49.55 -52.8 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 84' ' ' LEU . 1.8 tp -40.54 -64.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB3' HG21 ' A' ' 46' ' ' VAL . 11.5 m-85 -54.14 -48.09 71.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -54.44 -58.09 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -60.05 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 13.8 mmtt -51.24 -47.44 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 50.2 t80 -60.72 -21.48 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' CG1' ' A' ' 38' ' ' ILE . . . -60.01 -63.4 5.09 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.0 pt-20 -48.44 -34.96 11.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.78 -20.81 24.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 40' ' ' MET . 2.2 pt -121.2 18.53 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.5 19.75 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 3.5 mmt -77.9 142.63 38.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.39 37.7 3.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 0.9 OUTLIER -175.15 163.77 2.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 38' ' ' ILE . 16.3 t -106.89 157.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 2.8 pttt -52.46 154.92 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 30' ' ' PHE . 47.7 t -122.38 109.96 32.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 74.36 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 42.6 m-85 -52.68 -43.27 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.19 -59.75 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -46.14 -57.27 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.7 mt -57.6 -30.81 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.84 -68.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 15.9 pt -49.4 -40.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.8 p30 -168.87 122.41 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -25.45 11.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.47 -62.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 90.8 m -54.05 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 51' ' ' ILE . 42.6 t -99.97 140.45 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' ILE . 91.8 t -109.79 166.33 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.788 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.4 t -144.55 125.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 177.6 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.94 -23.16 18.62 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.5 mmm -47.8 152.76 1.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.56 33.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.66 25.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.55 22.49 71.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.77 115.26 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.16 147.82 28.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.788 ' CE2' HG21 ' A' ' 60' ' ' VAL . 23.4 t80 -89.41 136.45 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.6 ptpm? -178.36 171.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . . . -50.67 151.09 4.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.44 12.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.2 t -77.04 -29.67 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -97.26 -37.31 10.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.9 mt -60.11 152.97 22.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.52 163.82 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.925 HG23 HD12 ' A' ' 22' ' ' LEU . 4.8 mt -44.87 -53.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -53.34 -56.92 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.5 m -42.73 -58.33 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 21.5 mtm -51.4 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.936 ' HD2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.25 -51.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -52.93 -61.83 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG22 HD21 ' A' ' 29' ' ' LEU . 14.5 mt -44.76 -50.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 29' ' ' LEU . 64.3 mt -51.58 -47.34 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -51.52 -25.74 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -112.25 20.7 16.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.3 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.69 -25.78 61.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 3.5 m-85 -81.97 -39.16 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' PHE . 8.8 mm -39.96 145.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -156.24 153.29 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' A' ' 60' ' ' VAL . 21.6 m-85 -141.21 118.74 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -106.91 126.26 52.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 37' ' ' ALA . 67.6 t -96.2 81.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -66.67 -53.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 95' ' ' ILE . 2.5 mtp180 -137.09 132.55 18.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.58 33.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.679 ' HD2' HD13 ' A' ' 101' ' ' LEU . 5.2 m-85 -91.07 163.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 86.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.41 -12.19 5.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.679 HD13 ' HD2' ' A' ' 98' ' ' PHE . 23.8 tp -57.59 154.02 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 0.819 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.2 t -130.15 147.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 103' ' ' ILE . 20.9 mt -130.48 55.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.531 HD22 ' ND2' ' A' ' 105' ' ' ASN . 3.6 p-10 -178.15 -171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.531 ' ND2' HD22 ' A' ' 104' ' ' ASN . 0.5 OUTLIER -51.02 177.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 67.55 58.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -83.68 144.54 29.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 109' ' ' SER . 73.8 t -116.52 87.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER 164.75 91.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -144.24 92.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.4 5.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.9 t 46.4 50.43 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t 174.6 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 -70.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -137.12 -162.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -90.13 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 64.35 141.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -117.35 -65.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.26 115.02 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 163.75 23.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -43.87 104.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.908 ' HA ' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -58.63 -16.67 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -54.49 13.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' LEU . 3.6 ttm180 -71.2 -41.64 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 10' ' ' ASN . 3.2 mp -35.9 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t 67.52 -65.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -79.82 -25.16 40.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' HB ' HD23 ' A' ' 13' ' ' LEU . 21.4 t -79.66 -49.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.62 -35.7 14.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.83 -42.45 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -64.76 -60.47 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -57.22 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -53.95 -56.97 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 HG23 ' A' ' 77' ' ' ILE . 63.4 mt -49.97 -47.61 52.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.44 -34.04 56.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.28 -49.08 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.8 mt-30 -58.55 -50.05 75.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 80' ' ' MET . 66.1 t -55.9 -55.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -51.19 -68.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -49.05 20.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 84' ' ' LEU . 6.9 tp -45.21 -64.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 14.3 m-85 -52.64 -38.94 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -49.99 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -53.42 57.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 63.2 mmtt -59.25 -36.68 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.615 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.1 t80 -66.15 -30.82 71.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.65 -61.9 6.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 7.4 pt-20 -48.34 -36.19 13.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.33 -26.3 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.461 HG13 ' CG ' ' A' ' 40' ' ' MET . 1.7 pt -116.13 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.83 8.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.1 mmt -77.83 140.06 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.58 -18.47 75.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.29 163.26 24.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.8 6.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' HG3' ' A' ' 40' ' ' MET . 17.7 t -104.27 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 5.4 pttt -50.79 164.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 30' ' ' PHE . 75.8 t -128.83 107.51 18.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.71 3.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -55.59 -35.1 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.17 -66.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -46.22 -49.83 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.698 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.4 mt -59.53 -32.3 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.693 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -69.86 -67.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.693 ' N ' HG22 ' A' ' 52' ' ' THR . 6.1 pt -46.03 -41.09 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.3 p30 -171.01 120.75 0.5 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.04 -25.84 11.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.22 -63.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PRO . 88.5 m -54.93 -84.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 94' ' ' VAL . 15.7 t -97.17 130.28 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG23 HD13 ' A' ' 95' ' ' ILE . 61.8 t -106.33 168.57 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 92' ' ' PHE . 54.9 t -143.77 123.21 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.51 174.69 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 -21.26 26.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.43 0.67 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HG2' HG11 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.01 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.2 Cg_endo -75.04 142.97 28.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.83 38.97 55.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 65' ' ' PRO . 79.7 t -138.29 123.49 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.32 142.75 27.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 51' ' ' ILE . 47.0 t80 -83.1 135.61 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -177.71 174.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.74 151.15 8.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.77 17.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.2 p -75.17 -33.22 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -91.04 -37.96 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 70' ' ' LYS . 95.1 mt -61.59 161.29 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.33 171.92 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.735 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.8 mt -55.13 -51.43 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -55.49 -42.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -57.81 -58.57 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.55 ' CB ' HG21 ' A' ' 26' ' ' VAL . 38.8 mtm -50.65 -54.33 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -46.06 -47.31 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtt-85 -58.66 -65.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 mt -40.75 -49.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 29' ' ' LEU . 78.1 mt -56.21 -49.35 74.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -53.19 -21.58 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.4 m -111.86 17.0 20.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.5 -40.37 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.2 -27.1 66.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' SER . 7.5 m-85 -84.99 -39.35 18.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 mm -41.09 144.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 152.79 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' HG22 ' A' ' 60' ' ' VAL . 24.8 m-85 -134.94 118.59 17.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 95' ' ' ILE . 49.0 m -106.55 126.28 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.877 HG23 ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -100.54 83.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -63.82 -46.91 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -152.34 132.74 7.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 96' ' ' ARG . 18.4 Cg_endo -74.99 165.86 30.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 2.2 m-85 -77.04 164.23 60.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 75.45 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.32 -14.23 2.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 98' ' ' PHE . 27.0 tp -61.8 152.41 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 71.5 t -131.83 150.74 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 103' ' ' ILE . 49.9 mt -113.81 63.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.67 -179.08 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -104.7 -160.22 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.93 41.24 14.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.73 152.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.8 t -124.66 91.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER 164.19 74.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.48 85.71 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -177.32 3.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -40.0 -50.0 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -73.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.57 119.19 8.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -84.77 165.12 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.77 -108.38 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -55.57 33.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t 63.09 163.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.03 76.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.63 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -134.15 149.34 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HA ' HD12 ' A' ' 13' ' ' LEU . 26.1 m-20 -67.96 -40.95 83.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.81 -40.85 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' LEU . 49.3 mtt180 -72.51 -40.79 66.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 10' ' ' ASN . 84.0 mt -55.81 -106.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 4.7 t 79.8 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -31.79 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 13' ' ' LEU . 23.3 t -75.65 -50.58 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -43.77 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -64.64 -36.37 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -67.03 -50.68 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -63.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.63 -57.32 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD12 HG23 ' A' ' 77' ' ' ILE . 52.7 mt -48.1 -54.75 12.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.48 -36.4 22.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.07 -45.46 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.3 mt-30 -61.59 -51.16 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 61.6 t -55.21 -52.14 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -50.11 -69.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -48.2 -50.68 28.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 84' ' ' LEU . 8.4 tp -41.06 -69.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 46' ' ' VAL . 12.0 m-85 -48.81 -46.72 42.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 46' ' ' VAL . 1.3 m -54.85 -55.39 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -54.26 -58.98 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -52.64 -57.28 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -43.85 -40.75 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -48.23 -27.56 5.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.26 -45.02 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.952 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -56.5 -17.38 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -116.78 14.7 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.57 20.8 2.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.529 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.8 mmt -74.33 159.59 32.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.12 24.48 27.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.89 163.56 22.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.13 4.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -102.95 161.43 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -53.23 153.49 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 30' ' ' PHE . 73.8 t -124.79 107.12 28.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.795 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.5 Cg_endo -75.0 78.76 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -55.84 -51.97 65.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NH1' ' HA ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -53.16 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -38.25 -53.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.795 HD12 ' O ' ' A' ' 47' ' ' PRO . 1.2 mt -54.27 -47.09 68.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.696 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -67.14 -68.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.696 ' N ' HG22 ' A' ' 52' ' ' THR . 1.2 pt -45.91 -44.61 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 53' ' ' ILE . 5.8 p30 -153.03 94.63 3.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -29.29 8.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.623 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.25 -62.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.0 m -54.1 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 94' ' ' VAL . 38.2 t -94.78 136.06 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 95' ' ' ILE . 87.6 t -111.8 166.48 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.657 HG21 ' CE2' ' A' ' 69' ' ' PHE . 54.2 t -138.79 124.4 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.6 176.43 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.47 -29.86 6.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.409 ' CE ' HG12 ' A' ' 83' ' ' ILE . 87.2 mmm -42.77 153.34 0.33 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.2 29.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 67' ' ' VAL . 18.3 Cg_endo -74.96 143.78 29.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.21 20.78 65.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 65' ' ' PRO . 74.0 t -129.11 112.06 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.68 146.45 30.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.657 ' CE2' HG21 ' A' ' 60' ' ' VAL . 52.9 t80 -85.67 136.86 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -174.82 -171.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.17 93.54 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -11.46 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 m -73.76 -30.26 62.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.73 -30.71 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.07 147.81 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.793 HG23 HD12 ' A' ' 22' ' ' LEU . 5.1 mt -52.74 -50.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -47.06 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -54.27 -51.87 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.8 mtm -59.06 -47.31 85.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -53.81 -42.31 68.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -62.41 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.3 mt -40.59 -51.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 25' ' ' GLN . 61.9 mt -50.84 -53.57 31.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -50.49 -23.25 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -116.28 29.86 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.02 -57.71 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.12 -30.13 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -41.11 80.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 90' ' ' ILE . 5.0 mm -40.12 157.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.05 154.18 17.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m-85 -142.45 118.52 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 58.1 m -106.49 126.54 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.952 HG23 ' HB1' ' A' ' 37' ' ' ALA . 75.5 t -98.52 82.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HG23 ' A' ' 59' ' ' VAL . 2.2 mp -66.45 -52.34 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -135.71 131.83 19.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 152.46 40.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.442 ' CZ ' ' CG2' ' A' ' 58' ' ' VAL . 3.6 m-85 -75.83 162.98 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 79.25 2.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 136.68 -13.34 3.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 98' ' ' PHE . 41.3 tp -52.75 155.35 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.6 t -134.44 148.23 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.416 ' O ' ' OD1' ' A' ' 104' ' ' ASN . 5.0 mt -134.53 150.73 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.505 ' ND2' ' N ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER 59.29 167.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.505 ' N ' ' ND2' ' A' ' 104' ' ' ASN . 2.0 t-20 81.91 -179.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.44 148.01 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 108' ' ' VAL . 33.4 tp -97.09 153.41 17.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.753 ' H ' HD12 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -109.59 125.36 66.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.46 -56.42 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.6 120.63 22.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -63.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -61.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 49.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -174.74 162.75 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 177.7 151.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.07 150.13 6.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -174.64 125.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -167.41 169.17 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.82 -60.19 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.09 74.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -176.09 119.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.431 ' HA ' HD12 ' A' ' 13' ' ' LEU . 5.8 p-10 -59.12 -40.85 86.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.01 -50.02 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -67.03 -45.6 76.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 10' ' ' ASN . 48.8 mt -46.22 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t 64.08 -100.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' O ' HD11 ' A' ' 77' ' ' ILE . 1.3 tttt -42.93 -54.56 4.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.95 -54.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -29.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.04 -56.16 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.66 -51.14 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -58.8 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -57.77 -53.37 58.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD22 ' CD1' ' A' ' 84' ' ' LEU . 38.6 mt -48.09 -55.67 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 11.1 mtp-105 -39.59 -42.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.44 -49.23 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.77 -49.01 78.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 70.6 t -62.1 -54.04 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -48.39 -62.43 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -54.81 -49.94 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 84' ' ' LEU . 4.1 tp -41.42 -66.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 15.5 m-85 -51.51 -43.64 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' PRO . 1.4 m -58.38 -47.84 82.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.92 -66.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -48.61 -54.49 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 48.5 t80 -40.55 -41.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -44.93 -42.49 7.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.79 -43.98 97.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.825 ' O ' HG21 ' A' ' 94' ' ' VAL . . . -54.66 -24.18 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.544 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.2 pt -114.24 17.31 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.85 19.27 6.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 38' ' ' ILE . 3.2 mmt -76.45 156.59 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 27.59 18.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 40' ' ' MET . 0.4 OUTLIER -163.18 166.55 12.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' SER . 18.4 Cg_endo -74.96 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 38' ' ' ILE . 14.7 t -106.05 157.82 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.4 mttt -50.09 153.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.16 111.7 33.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.2 6.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' THR . 72.8 m-85 -47.77 -34.07 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -57.75 -66.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -48.62 -37.69 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.5 mt -72.12 -31.97 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -68.46 -64.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.645 ' N ' HG22 ' A' ' 52' ' ' THR . 3.4 pt -48.42 -52.39 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -156.85 112.97 1.97 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.614 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.01 -26.66 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -16.12 -60.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' PRO . 96.8 m -53.65 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' CG2' ' CZ ' ' A' ' 98' ' ' PHE . 5.1 t -96.48 128.75 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 HD13 ' A' ' 95' ' ' ILE . 53.0 t -109.59 168.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.549 ' N ' HG12 ' A' ' 59' ' ' VAL . 55.5 t -132.74 113.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' LYS . 11.0 m-20 -101.85 171.33 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.86 -27.24 7.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.42 ' HE2' HG12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -41.09 140.84 1.09 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.939 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.01 166.96 28.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.15 18.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.27 30.35 71.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -139.18 114.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 153.27 22.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE2' HG21 ' A' ' 51' ' ' ILE . 55.5 t80 -90.83 138.17 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.8 ptpt -179.35 169.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.58 150.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.97 17.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -41.83 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -79.43 -40.05 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.717 HD21 ' HG2' ' A' ' 70' ' ' LYS . 56.7 mt -62.12 150.06 39.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.24 176.99 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 19' ' ' ALA . 14.4 mt -53.46 -62.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.29 -49.01 24.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -48.81 -56.37 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.504 ' CB ' HG21 ' A' ' 26' ' ' VAL . 46.7 mtm -57.6 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.26 -45.64 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' ASP . 51.4 mtp180 -61.01 -67.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 mt -39.84 -46.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.637 ' CD1' HD22 ' A' ' 22' ' ' LEU . 85.2 mt -59.06 -49.62 77.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' ARG . 1.9 m-20 -53.2 -21.56 5.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -113.85 17.4 18.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.18 -38.03 24.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.05 -26.53 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' SER . 49.7 m-85 -88.28 -40.0 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PHE . 9.2 mm -39.77 137.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.53 159.5 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' CE2' HG22 ' A' ' 60' ' ' VAL . 15.4 m-85 -129.9 125.67 36.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 m -104.15 140.63 37.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 37' ' ' ALA . 62.0 t -110.51 78.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.758 HD13 HG23 ' A' ' 59' ' ' VAL . 3.0 mp -61.96 -54.08 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -121.5 131.18 24.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 127.87 10.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.904 ' CD1' HD13 ' A' ' 101' ' ' LEU . 83.6 m-85 -49.09 167.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -75.02 53.77 3.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.552 1.817 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 101' ' ' LEU . . . 147.01 -48.95 0.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 98' ' ' PHE . 20.6 tp 49.62 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.9 t -145.44 134.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.487 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 1.2 mt -144.65 63.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 119.8 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.9 OUTLIER -51.92 163.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER 160.88 81.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.83 145.68 51.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -57.25 125.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -54.19 -58.01 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 80.19 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.5 14.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -39.66 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.48 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 66.7 p -147.75 123.05 10.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.31 -61.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 122.93 -175.05 16.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -178.96 170.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 124.41 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.0 170.08 13.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.59 -51.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.37 148.76 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -61.27 -33.62 73.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.59 -29.21 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LEU . 29.4 mtt180 -84.8 -42.03 15.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 2.4 mt -40.46 105.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -126.12 -69.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -78.67 -18.28 54.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 44.1 t -88.74 -56.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -37.27 -44.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.48 -50.88 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 77' ' ' ILE . . . -51.91 -51.07 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -40.89 -50.7 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 77' ' ' ILE . 47.0 mt -52.19 -56.24 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -46.48 -32.41 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.79 -48.15 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.2 mt-30 -58.46 -53.32 59.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 ' CG1' ' CE2' ' A' ' 30' ' ' PHE . 69.2 t -54.02 -60.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -41.8 -64.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -51.59 59.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 84' ' ' LEU . 6.3 tp -43.5 -67.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -49.58 -37.05 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -66.69 -48.03 70.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -59.39 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -49.9 -54.9 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ALA . 36.4 t80 -43.69 -48.24 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' MET . . . -42.63 -32.5 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.7 -45.03 84.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -60.46 -14.41 19.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.9 pt -120.16 11.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.69 20.61 4.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG3' HD12 ' A' ' 38' ' ' ILE . 4.3 mmt -75.22 146.97 40.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.33 24.96 19.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -161.85 163.39 19.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 0.729 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.14 7.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 45' ' ' LYS . 18.9 t -108.99 163.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -58.34 147.47 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 30' ' ' PHE . 63.4 t -107.95 118.94 51.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.02 60.41 5.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -46.57 -47.09 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -55.68 -69.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -44.35 -51.06 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE2' ' A' ' 69' ' ' PHE . 1.2 mt -57.8 -35.61 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.694 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -66.1 -67.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.694 ' N ' HG22 ' A' ' 52' ' ' THR . 9.8 pt -45.74 -39.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.2 p30 -173.92 117.47 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.624 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -75.03 -18.36 18.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -15.07 -70.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 96' ' ' ARG . 80.2 m -53.19 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 94' ' ' VAL . 24.2 t -102.07 126.52 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.704 HG23 HD13 ' A' ' 95' ' ' ILE . 48.4 t -105.64 167.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG22 ' CE2' ' A' ' 92' ' ' PHE . 53.1 t -137.95 125.08 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.4 176.23 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.8 -32.19 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 83' ' ' ILE . 84.7 mmm -39.96 152.29 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.98 25.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.53 31.74 81.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -139.47 101.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -73.71 149.64 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 60' ' ' VAL . 50.9 t80 -87.03 138.04 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HG2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER 179.07 166.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.17 151.94 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.6 12.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.9 t -75.81 -54.08 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.22 -39.46 82.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 70' ' ' LYS . 64.7 mt -63.17 145.07 56.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -91.2 179.19 5.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 19' ' ' ALA . 4.0 mt -54.14 -61.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.1 m -44.35 -49.56 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 t -49.66 -61.74 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 26' ' ' VAL . 48.1 mtm -53.03 -52.84 57.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -47.26 -45.07 23.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -61.96 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CE ' ' A' ' 63' ' ' MET . 7.5 mt -40.58 -51.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 HD22 ' A' ' 29' ' ' LEU . 66.5 mt -51.93 -52.14 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -52.01 -26.19 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -109.61 18.95 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.3 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.71 -27.18 63.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 86' ' ' SER . 4.6 m-85 -81.44 -40.21 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' PHE . 7.9 mm -40.04 142.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.71 155.82 32.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CE2' HG22 ' A' ' 60' ' ' VAL . 24.3 m-85 -140.87 119.98 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 95' ' ' ILE . 47.2 m -105.14 125.94 51.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.029 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.1 t -98.99 89.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.704 HD13 HG23 ' A' ' 59' ' ' VAL . 1.9 mp -63.11 -59.57 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -133.9 134.66 23.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.92 34.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 101' ' ' LEU . 3.1 m-85 -72.41 163.92 63.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.05 9.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 3.91 5.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 37.5 tp -74.05 159.58 32.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.5 t -149.56 147.24 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 103' ' ' ILE . 12.7 mt -128.75 65.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 133.57 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -78.23 -178.16 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 62.23 142.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.3 mp -128.57 -172.71 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.96 -39.54 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.18 150.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 95.63 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.94 4.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 39.83 32.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.0 t -157.47 -65.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.74 -58.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 57.84 170.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.73 82.08 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.41 177.44 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -122.79 137.93 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.28 -171.67 44.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.25 103.73 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.16 137.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.0 m-20 -56.11 -40.87 74.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.69 -38.45 72.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.19 -51.64 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 10' ' ' ASN . 16.4 mt -41.29 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t 64.15 -95.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' CD ' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -53.53 -51.73 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.01 -50.58 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -29.96 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -53.8 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 77' ' ' ILE . . . -55.3 -55.58 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -57.45 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -57.69 -51.2 70.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' CD1' HG23 ' A' ' 77' ' ' ILE . 78.7 mt -48.94 -47.48 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -53.32 -42.32 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.4 mt-30 -67.59 -56.74 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.0 t -52.55 -52.06 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -50.01 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -50.36 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 HD23 ' A' ' 84' ' ' LEU . 3.0 tp -40.73 -63.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' A' ' 46' ' ' VAL . 13.9 m-85 -58.61 -53.32 59.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -46.69 -50.11 18.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -69.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -44.97 -52.91 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' O ' ' A' ' 45' ' ' LYS . 46.5 t80 -44.19 -43.77 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -50.37 -27.89 12.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.44 -42.69 82.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.972 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -62.89 -13.43 34.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 40' ' ' MET . 1.5 pt -118.37 -5.74 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 68.02 19.46 71.86 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE3' ' HE1' ' A' ' 42' ' ' PHE . 3.1 mmt -75.44 140.51 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.16 -18.18 79.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HE3' ' A' ' 40' ' ' MET . 1.2 p90 -118.57 163.08 27.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.1 t -105.06 161.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 15.9 pttt -56.1 171.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.669 HG11 ' CE1' ' A' ' 48' ' ' TYR . 70.0 t -134.97 106.74 10.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.587 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 64.15 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CE1' HG11 ' A' ' 46' ' ' VAL . 66.9 m-85 -47.67 -38.08 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -55.94 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HA ' HD11 ' A' ' 53' ' ' ILE . 10.1 mttp -54.15 -34.72 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.604 HG21 ' HE2' ' A' ' 69' ' ' PHE . 3.0 mt -74.26 -19.6 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -84.92 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 50' ' ' LYS . 1.6 pt -44.35 -27.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 53' ' ' ILE . 10.4 p30 177.58 114.94 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.616 ' O ' ' C ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.93 -27.25 10.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -14.97 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' PRO . 77.2 m -53.68 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 94' ' ' VAL . 23.0 t -99.7 131.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG23 HD13 ' A' ' 95' ' ' ILE . 40.9 t -106.59 169.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' N ' HG12 ' A' ' 59' ' ' VAL . 62.5 t -144.8 126.48 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -114.56 170.51 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.516 ' N ' ' CG ' ' A' ' 61' ' ' ASP . . . 91.18 -27.06 9.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -38.45 133.37 0.99 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.944 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' MET . 18.2 Cg_endo -75.02 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.5 25.74 71.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' HD3' ' A' ' 82' ' ' ARG . 58.4 t -134.47 119.1 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 153.33 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.604 ' HE2' HG21 ' A' ' 51' ' ' ILE . 48.0 t80 -97.04 136.18 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.0 ptpm? -175.98 -169.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.34 153.24 95.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.22 10.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -33.87 58.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -92.9 -35.41 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD21 ' HG2' ' A' ' 70' ' ' LYS . 50.9 mt -66.04 139.61 58.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.51 179.06 6.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 22' ' ' LEU . 5.4 mt -50.9 -60.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -53.19 -49.56 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.434 ' O ' HD12 ' A' ' 83' ' ' ILE . 57.6 m -48.1 -52.75 19.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.9 mtm -59.05 -57.63 12.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -61.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HD3' HG21 ' A' ' 67' ' ' VAL . 6.6 mtt-85 -42.09 -66.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 79' ' ' SER . 5.3 mt -42.9 -52.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 25' ' ' GLN . 68.4 mt -52.57 -51.13 61.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.19 -26.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -122.12 38.63 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -54.08 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.47 -34.79 37.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CD2' ' OG ' ' A' ' 86' ' ' SER . 1.2 m-85 -62.6 -33.29 74.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 90' ' ' ILE . 4.2 mm -53.11 154.39 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 163.47 28.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.813 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 27.5 m-85 -144.24 117.46 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -107.8 131.29 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.972 HG23 ' HB1' ' A' ' 37' ' ' ALA . 53.7 t -103.29 70.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 59' ' ' VAL . 2.3 mp -58.55 -48.87 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.23 141.58 32.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.65 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 41.6 p90 -178.51 168.54 0.93 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 98' ' ' PHE . 18.0 Cg_endo -75.03 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.99 1.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 38.8 tp -79.22 162.52 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 101' ' ' LEU . 97.2 t -148.22 145.35 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mt -135.76 -46.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -72.94 114.95 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -39.42 134.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 163.07 70.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.5 170.99 7.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.28 77.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.5 m -170.59 173.94 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.53 159.2 30.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 160.26 40.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.0 t -43.91 -36.72 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -133.47 88.7 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 stop_ save_