data_2iv5_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 2iv5 _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 ' 176' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 4.8 t60 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.518 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.51 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 184' ' ' ILE . 20.9 tptp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.512 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.51 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.507 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.506 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.403 ' N ' HG21 ' A' ' 183' ' ' THR . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.513 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 185' ' ' LYS . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.497 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.514 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 30.6 tptt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.412 ' N ' HG21 ' A' ' 183' ' ' THR . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.514 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.401 ' N ' HG21 ' A' ' 183' ' ' THR . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.503 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 181' ' ' ASN . 2.4 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.502 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 181' ' ' ASN . 13.5 tptm . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.513 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -70.24 -49.3 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 176' ' ' VAL . 50.7 p90 -63.35 -48.25 78.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.584 ' N ' ' CD1' ' A' ' 175' ' ' PHE . 0.3 OUTLIER -59.07 -48.63 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 4.8 t60 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.441 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -39.82 -63.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 3.8 mm100 -55.41 -41.0 72.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.441 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.46 -66.18 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -35.86 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 186' ' ' GLN . 17.4 t -94.36 22.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.66 -55.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.8 p -50.18 -30.79 12.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.54 -68.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.481 ' N ' ' CG2' ' A' ' 192' ' ' THR . 0.3 OUTLIER -92.96 140.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 193' ' ' THR . 20.9 mmtt 39.97 86.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.506 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -74.13 -66.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 176' ' ' VAL . 8.4 p90 -42.43 -35.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -71.72 -49.94 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? -37.6 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 189' ' ' VAL . 14.9 mm-40 -72.17 -38.61 69.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.25 -64.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -36.16 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 186' ' ' GLN . 21.9 t -93.31 21.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -120.53 -61.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 m -50.53 -32.56 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.37 -60.34 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.98 131.15 38.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.71 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 110.939 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.84 -56.6 18.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -41.57 -50.15 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -54.9 -61.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -39.69 -63.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 7.3 mm-40 -55.52 -41.24 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.505 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.21 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.582 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.88 -38.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.49 ' CG1' ' OG1' ' A' ' 193' ' ' THR . 5.7 t -89.28 45.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 191' ' ' THR . 1.5 p -49.08 -61.94 1.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.8 35.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -47.27 10.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.393 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.49 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -70.98 -57.41 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.68 101.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.28 -56.32 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.475 ' CZ ' ' CG2' ' A' ' 176' ' ' VAL . 3.3 p90 -53.75 -25.2 17.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.475 ' CG2' ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -84.04 -50.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 187' ' ' HIS . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER -37.57 -63.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.4 mm-40 -72.19 -38.51 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 191' ' ' THR . 0.7 OUTLIER -38.68 -65.41 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.09 -35.98 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 186' ' ' GLN . 39.5 t -93.67 21.3 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.18 -52.88 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.481 ' CG2' ' CE1' ' A' ' 187' ' ' HIS . 40.7 p -51.32 -35.5 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.27 -63.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLY . 0.3 OUTLIER -90.55 142.54 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.478 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 64.34 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.635 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -61.1 -33.56 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.635 ' CE2' ' N ' ' A' ' 173' ' ' ASN . 35.7 p90 -77.84 2.59 16.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -122.77 -47.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.507 HG13 ' CD2' ' A' ' 187' ' ' HIS . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp -37.68 -64.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 187' ' ' HIS . 5.0 mm-40 -71.66 -37.65 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.517 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.5 OUTLIER -38.86 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.522 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.45 -31.16 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.431 HG12 ' CG2' ' A' ' 192' ' ' THR . 14.9 t -99.08 50.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -90.0 -90.34 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 85.2 m -52.56 -20.35 2.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.431 ' CG2' HG12 ' A' ' 189' ' ' VAL . 0.5 OUTLIER -63.8 -62.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.412 ' N ' ' CG2' ' A' ' 192' ' ' THR . 0.8 OUTLIER -70.3 176.13 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 110.454 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.4 mmtt 40.01 79.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -57.76 -64.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 176' ' ' VAL . 6.1 p90 -47.87 -23.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.428 HG21 ' CE2' ' A' ' 175' ' ' PHE . 2.3 t -85.82 -55.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 187' ' ' HIS . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt -37.63 -64.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 189' ' ' VAL . 22.8 mm-40 -71.98 -38.39 69.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.452 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.08 -64.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.613 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.13 -36.08 38.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 189' ' ' VAL . 79.9 t -93.17 21.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -120.86 -58.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 m -50.09 -29.79 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.68 -67.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.468 ' N ' ' CG2' ' A' ' 192' ' ' THR . 41.0 p -55.96 114.38 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.406 1.066 . . . . 0.0 110.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 40.03 83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -54.62 -55.77 26.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -41.06 -50.05 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.05 -51.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.503 HG12 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm -37.8 -62.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.2 OUTLIER -43.8 -51.39 7.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.22 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -40.28 -63.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.663 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.58 -33.65 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.4 t -95.72 44.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -45.41 -60.42 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.76 34.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -55.08 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -42.08 9.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.545 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -70.47 -55.44 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.545 ' CE2' ' N ' ' A' ' 173' ' ' ASN . 31.4 p90 -54.16 -35.58 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -70.65 -56.22 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.435 ' HA ' ' CB ' ' A' ' 187' ' ' HIS . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -37.67 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 189' ' ' VAL . 6.5 mm100 -72.22 -38.66 68.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -39.11 -64.28 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.649 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -36.02 41.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 189' ' ' VAL . 72.0 t -92.93 20.57 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -119.94 -44.85 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 m -63.34 -56.76 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.445 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -61.73 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -101.16 126.88 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 40.24 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -57.45 -52.11 66.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -41.42 -47.69 3.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.94 -44.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.518 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.579 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -38.22 -61.83 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 190' ' ' THR . 4.0 mm-40 -51.52 -46.94 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -39.0 -63.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.605 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.66 -34.55 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.21 24.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -118.47 -69.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.452 ' N ' ' CG2' ' A' ' 190' ' ' THR . 1.2 m -50.55 -21.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -52.35 6.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -68.6 -48.03 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.7 mtpt 40.06 89.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -68.3 -59.18 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 175' ' ' PHE . 2.1 t80 -49.92 -33.78 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.52 -56.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.51 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 189' ' ' VAL . 0.6 OUTLIER -38.12 -63.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.5 mm100 -65.44 -62.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.575 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -36.65 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.561 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -39.9 -31.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.457 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 185' ' ' LYS . 98.2 t -96.56 47.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -62.39 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.5 p -88.0 16.61 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.366 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -70.2 -66.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -73.38 146.51 45.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.382 1.051 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 53.6 101.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.11 -49.09 43.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -58.4 -60.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 185' ' ' LYS . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm -37.58 -64.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 189' ' ' VAL . 4.6 mm100 -72.28 -38.61 68.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.435 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.23 -65.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.16 35.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 186' ' ' GLN . 3.3 t -94.24 22.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -121.56 -64.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 m -49.59 -22.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.43 ' N ' ' CG2' ' A' ' 192' ' ' THR . 0.8 OUTLIER -71.6 131.55 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.455 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 53.73 101.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -48.33 -56.23 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -39.82 -50.26 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.99 -58.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.611 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 184' ' ' ILE . 20.9 tptp -37.05 -62.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.3 mm-40 -50.65 -47.69 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.611 ' CD2' ' CG1' ' A' ' 184' ' ' ILE . 0.0 OUTLIER -39.09 -63.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.99 -34.2 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.1 t -98.21 26.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -119.2 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.434 ' N ' ' CG2' ' A' ' 190' ' ' THR . 71.7 p -49.62 -25.46 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.57 -55.68 4.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.49 114.36 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 3.5 pttt 40.14 74.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -59.17 -61.78 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.49 -35.0 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -74.01 -47.39 42.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.512 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -37.73 -63.91 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 187' ' ' HIS . 11.6 mm-40 -64.35 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.57 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -37.68 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -34.81 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 185' ' ' LYS . 87.3 t -92.23 42.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 1.4 p -45.2 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.64 8.02 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -39.98 96.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.408 ' HB ' ' CG1' ' A' ' 189' ' ' VAL . 0.3 OUTLIER -96.0 -48.99 5.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.61 101.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -73.29 -65.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 176' ' ' VAL . 45.5 p90 -47.08 -33.36 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -74.54 -57.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.51 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.482 HG13 ' CB ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -36.52 -63.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.4 mm100 -59.28 -42.53 91.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.482 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.34 -66.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -35.47 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.4 t -95.4 23.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -121.05 -63.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 m -50.07 -29.87 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.7 -64.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.419 ' N ' ' CG2' ' A' ' 192' ' ' THR . 0.3 OUTLIER -93.13 131.43 38.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.97 86.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -50.32 -59.36 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -38.81 -49.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.92 -49.98 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.507 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.469 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt -38.1 -62.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -44.0 -51.04 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -41.1 -62.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.57 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.597 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -54.72 -30.77 57.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . 3.5 t -100.24 50.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -82.24 -99.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -20.59 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.44 ' CG2' HG12 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -65.19 -44.5 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 0.3 OUTLIER -83.87 161.72 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.386 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 2.3 tttt 63.48 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -43.42 -56.2 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -39.69 -52.27 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.91 -54.84 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.506 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.87 -63.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.0 OUTLIER -55.39 -41.06 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.435 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.46 -66.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.613 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.1 -35.6 36.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 186' ' ' GLN . 9.6 t -94.85 22.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.22 -57.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 m -58.79 -50.42 74.02 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.536 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -60.0 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 194' ' ' LYS . 42.3 p -55.51 153.12 8.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 193' ' ' THR . 7.2 mttm 39.98 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' HIS . 23.6 t-20 -50.41 -56.63 10.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -38.88 -47.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -64.54 -44.68 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' ASN . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.633 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? -37.01 -62.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.1 mm100 -51.65 -46.95 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.633 ' CD2' ' CG1' ' A' ' 184' ' ' ILE . 0.0 OUTLIER -39.03 -62.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.601 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.89 -34.39 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.42 24.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -118.32 -67.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 190' ' ' THR . 1.2 m -51.18 -23.66 3.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -40.45 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -82.97 153.51 24.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.439 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.454 ' HG2' ' CG2' ' A' ' 193' ' ' THR . 5.2 pttp 39.37 53.74 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.595 1.184 . . . . 0.0 111.013 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -67.36 -51.75 48.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -41.67 -45.83 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -60.62 -59.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.513 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.483 HG13 ' CB ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER -36.31 -64.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 190' ' ' THR . 9.0 mm-40 -59.19 -42.66 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.15 -66.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.622 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -35.58 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.9 t -95.1 22.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.57 -71.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.487 ' N ' ' CG2' ' A' ' 190' ' ' THR . 71.9 p -49.63 -23.13 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -84.21 -65.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.438 ' N ' ' CG2' ' A' ' 192' ' ' THR . 42.2 p -55.6 -52.3 64.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.72 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.81 -61.05 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -43.38 -49.57 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.88 -51.09 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt -39.8 -63.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 189' ' ' VAL . 2.6 mm-40 -55.45 -41.25 72.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.435 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.03 -68.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.63 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.8 m -49.76 -35.65 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.486 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.4 t -96.01 27.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -125.88 -59.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 m -49.97 -29.46 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.27 -68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.433 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.48 ' N ' ' CG2' ' A' ' 192' ' ' THR . 43.0 p -55.31 118.17 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 9.7 mttt 40.08 87.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.397 1.061 . . . . 0.0 110.985 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.493 ' N ' ' CE1' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.72 -60.8 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 173' ' ' ASN . 26.3 p90 -49.28 -42.63 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -64.79 -58.04 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.472 HG13 ' CB ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt -36.33 -64.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm100 -59.8 -44.4 93.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.472 ' CB ' HG13 ' A' ' 184' ' ' ILE . 1.3 t60 -39.62 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.63 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.04 -36.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 189' ' ' VAL . 89.1 t -90.18 41.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 191' ' ' THR . 0.5 OUTLIER -46.07 -86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 190' ' ' THR . 2.1 p -160.11 32.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -42.08 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -71.64 169.16 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 110.449 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 39.98 80.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.18 -43.56 98.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -45.19 -46.68 12.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.43 -58.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.497 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.472 HG13 ' CD2' ' A' ' 187' ' ' HIS . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -37.8 -64.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 189' ' ' VAL . 11.2 mm-40 -71.9 -37.93 70.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.472 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.28 -63.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 192' ' ' THR . 0.9 OUTLIER -55.38 -32.76 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.2 t -101.56 36.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -54.99 1.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.38 7.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 188' ' ' THR . 0.6 OUTLIER -101.26 -47.74 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.462 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -96.29 -57.0 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.2 OUTLIER 50.14 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -53.85 -58.12 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -39.45 -57.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -61.32 -53.2 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.514 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.484 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 30.6 tptt -36.52 -63.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 190' ' ' THR . 3.7 mm100 -59.41 -43.22 93.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.484 ' CB ' HG13 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -39.21 -65.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -35.44 40.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.4 t -95.43 22.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -119.94 -52.26 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 194' ' ' LYS . 77.1 p -66.61 -52.97 39.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -50.6 40.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -33.72 61.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 191' ' ' THR . 7.8 mmtt 41.67 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -49.96 -59.12 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.49 -48.65 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.89 -52.51 43.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.487 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER -38.16 -62.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -42.52 -54.2 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.617 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -40.34 -63.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.617 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.27 -33.54 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 186' ' ' GLN . 5.8 t -95.22 39.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -38.54 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 25.7 p -149.13 19.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -67.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.427 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -71.14 122.28 19.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 17.7 mttt 40.02 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.91 -49.61 76.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -41.62 -53.94 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.02 -60.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -39.65 -63.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -55.43 -41.18 72.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.22 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -38.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 76.4 t -89.17 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 1.6 p -50.21 -72.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.6 OUTLIER -161.24 26.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -52.33 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 40.9 p -55.46 119.92 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.5 -79.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.579 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.28 -64.2 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.579 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 2.9 p90 -43.4 -30.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -77.11 -57.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.514 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.483 HG13 ' CB ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -36.47 -64.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.8 mm-40 -58.92 -42.75 90.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.18 -66.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -34.18 30.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.1 t -96.7 23.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 0.7 OUTLIER -120.78 -62.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 m -53.25 -39.88 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.388 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -71.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.492 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -88.65 -62.42 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 190' ' ' THR . 0.0 OUTLIER 72.47 101.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.587 1.179 . . . . 0.0 110.986 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -58.92 -60.3 4.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -42.61 -40.3 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.26 -47.35 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.436 HG13 ' CB ' ' A' ' 187' ' ' HIS . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt -39.81 -63.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.4 mm100 -55.43 -41.1 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.33 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.39 -32.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 193' ' ' THR . 4.5 t -93.99 48.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -72.24 -102.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 69.7 p -69.97 -26.56 64.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.74 -45.62 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.433 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.447 HG21 ' CG1' ' A' ' 189' ' ' VAL . 69.6 p -42.16 -56.67 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 39.99 88.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.22 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 177' ' ' HIS . 4.5 m120 -75.9 -59.38 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.582 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 5.4 p90 -48.01 -24.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -80.78 -39.33 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 174' ' ' ASN . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.503 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.456 HG13 ' CD2' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 181' ' ' ASN . 2.4 tttt -38.71 -64.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm-40 -52.75 -53.87 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.498 ' O ' ' CG2' ' A' ' 190' ' ' THR . 4.8 t60 -39.43 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.4 m -41.91 -33.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.78 44.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 2.4 p -48.78 -63.26 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.81 37.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -53.91 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -93.08 131.21 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 193' ' ' THR . 6.2 pttt 39.14 56.98 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -63.53 -71.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.547 ' CZ ' HG22 ' A' ' 176' ' ' VAL . 29.2 p90 -53.08 -19.52 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.547 HG22 ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -82.0 -41.48 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.502 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 189' ' ' VAL . 13.5 tptm -38.15 -63.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.8 mm-40 -64.96 -61.82 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -36.97 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.657 179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -30.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 185' ' ' LYS . 71.7 t -99.3 46.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -80.96 -98.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 56.2 p -52.28 -20.55 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -44.65 86.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -86.56 147.59 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.409 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -36.83 119.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -43.9 -55.74 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -42.84 -45.77 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.65 -46.51 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.513 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.3 mm-40 -60.7 -59.69 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.521 ' CD2' HG12 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -37.66 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.575 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.441 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -41.16 -35.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 193' ' ' THR . 58.1 t -92.62 45.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.3 OUTLIER -76.34 -51.67 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 193' ' ' THR . 0.9 OUTLIER -134.14 -41.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.478 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 191' ' ' THR . 0.3 OUTLIER -35.91 -34.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 189' ' ' VAL . 0.3 OUTLIER -100.05 134.22 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.06 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.995 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -44.76 -57.08 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 175' ' ' PHE . 4.8 t80 -40.77 -48.92 3.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.15 -51.3 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm -38.59 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 189' ' ' VAL . 10.1 mm-40 -60.59 -53.3 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.519 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.3 OUTLIER -38.74 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.51 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -37.66 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 77.7 t -95.93 49.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -92.18 -85.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 m -50.09 -22.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -46.65 33.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.467 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -92.39 149.97 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 4.8 mtpt 40.03 79.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 11.7 t-80 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.8 t-20 -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.74 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.74 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.588 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.62 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 184' ' ' ILE . 20.9 tptp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.598 ' O ' HD12 ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.7 t-20 -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.625 ' O ' HD12 ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.781 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.7 t-20 -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.754 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.765 ' HA ' HG22 ' A' ' 184' ' ' ILE . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.765 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.771 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.6 t-20 -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.652 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.751 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.789 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.7 t-20 -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 30.6 tptt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.749 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.749 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.752 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.633 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.774 ' HA ' HG22 ' A' ' 184' ' ' ILE . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.744 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.744 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.722 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 181' ' ' ASN . 2.4 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.553 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.8 t-20 -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 181' ' ' ASN . 13.5 tptm . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.569 HD13 ' HE2' ' A' ' 185' ' ' LYS . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.569 ' HE2' HD13 ' A' ' 182' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 178' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.753 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.753 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -70.24 -49.3 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 176' ' ' VAL . 50.7 p90 -63.35 -48.25 78.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.584 ' N ' ' CD1' ' A' ' 175' ' ' PHE . 0.3 OUTLIER -59.07 -48.63 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 11.7 t-80 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.8 t-20 -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -39.82 -63.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 3.8 mm100 -55.41 -41.0 72.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.441 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -38.46 -66.18 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -35.86 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 189' ' ' VAL . 17.4 t -94.36 22.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.66 -55.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.8 p -50.18 -30.79 12.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.54 -68.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.673 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -92.96 140.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 193' ' ' THR . 20.9 mmtt 39.97 86.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.506 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -74.13 -66.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.538 ' CD1' HG23 ' A' ' 176' ' ' VAL . 8.4 p90 -42.43 -35.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -71.72 -49.94 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? -37.6 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 189' ' ' VAL . 14.9 mm-40 -72.17 -38.61 69.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.47 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.25 -64.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -36.16 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 189' ' ' VAL . 21.9 t -93.31 21.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.53 -61.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -50.53 -32.56 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.37 -60.34 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -92.98 131.15 38.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.71 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 110.939 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.84 -56.6 18.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -41.57 -50.15 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -54.9 -61.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -39.69 -63.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 7.3 mm-40 -55.52 -41.24 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.905 ' O ' HG23 ' A' ' 190' ' ' THR . 0.2 OUTLIER -38.21 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.582 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.88 -38.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.49 ' CG1' ' OG1' ' A' ' 193' ' ' THR . 5.7 t -89.28 45.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.5 p -49.08 -61.94 1.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.8 35.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -47.27 10.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.393 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.49 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -70.98 -57.41 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.68 101.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.28 -56.32 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.887 ' CZ ' HG23 ' A' ' 176' ' ' VAL . 3.3 p90 -53.75 -25.2 17.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.887 HG23 ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -84.04 -50.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER -37.57 -63.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.4 mm-40 -72.19 -38.51 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 191' ' ' THR . 0.7 OUTLIER -38.68 -65.41 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.09 -35.98 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 189' ' ' VAL . 39.5 t -93.67 21.3 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.18 -52.88 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.481 ' CG2' ' CE1' ' A' ' 187' ' ' HIS . 40.7 p -51.32 -35.5 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -90.27 -63.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -90.55 142.54 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.478 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 64.34 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.635 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -61.1 -33.56 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.635 ' CE2' ' N ' ' A' ' 173' ' ' ASN . 35.7 p90 -77.84 2.59 16.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -122.77 -47.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.74 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.74 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp -37.68 -64.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 187' ' ' HIS . 5.0 mm-40 -71.66 -37.65 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.861 ' O ' HG23 ' A' ' 190' ' ' THR . 0.5 OUTLIER -38.86 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.522 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.45 -31.16 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.631 HG13 HG21 ' A' ' 192' ' ' THR . 14.9 t -99.08 50.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -90.0 -90.34 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 85.2 m -52.56 -20.35 2.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.631 HG21 HG13 ' A' ' 189' ' ' VAL . 0.5 OUTLIER -63.8 -62.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.589 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -70.3 176.13 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 110.454 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.4 mmtt 40.01 79.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -57.76 -64.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.753 ' CZ ' HG23 ' A' ' 176' ' ' VAL . 6.1 p90 -47.87 -23.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.753 HG23 ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -85.82 -55.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt -37.63 -64.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 189' ' ' VAL . 22.8 mm-40 -71.98 -38.39 69.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.08 -64.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.613 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.13 -36.08 38.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.702 ' O ' HG12 ' A' ' 189' ' ' VAL . 79.9 t -93.17 21.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.86 -58.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -50.09 -29.79 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.672 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.68 -67.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.672 ' N ' HG22 ' A' ' 192' ' ' THR . 41.0 p -55.96 114.38 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.406 1.066 . . . . 0.0 110.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 40.03 83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -54.62 -55.77 26.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -41.06 -50.05 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.05 -51.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm -37.8 -62.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.2 OUTLIER -43.8 -51.39 7.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.22 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.986 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -40.28 -63.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.663 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.58 -33.65 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.4 t -95.72 44.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.986 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -45.41 -60.42 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.76 34.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.03 -55.08 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.436 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -93.31 -42.08 9.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.545 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -70.47 -55.44 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 176' ' ' VAL . 31.4 p90 -54.16 -35.58 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.882 HG23 ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -70.65 -56.22 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.588 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -37.67 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 189' ' ' VAL . 6.5 mm100 -72.22 -38.66 68.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.11 -64.28 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.649 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -36.02 41.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 189' ' ' VAL . 72.0 t -92.93 20.57 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -119.94 -44.85 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 m -63.34 -56.76 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.445 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -61.73 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -101.16 126.88 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 40.24 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -57.45 -52.11 66.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -41.42 -47.69 3.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.94 -44.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER -38.22 -61.83 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 190' ' ' THR . 4.0 mm-40 -51.52 -46.94 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -39.0 -63.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.605 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.66 -34.55 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.21 24.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -118.47 -69.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -50.55 -21.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -52.35 6.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -68.6 -48.03 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.7 mtpt 40.06 89.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -68.3 -59.18 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 175' ' ' PHE . 2.1 t80 -49.92 -33.78 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.52 -56.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.62 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -38.12 -63.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.5 mm100 -65.44 -62.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.008 ' O ' HG23 ' A' ' 190' ' ' THR . 1.2 t-160 -36.65 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.561 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -39.9 -31.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.457 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 189' ' ' VAL . 98.2 t -96.56 47.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -62.39 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.5 p -88.0 16.61 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.366 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.649 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -70.2 -66.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.649 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -73.38 146.51 45.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.382 1.051 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 53.6 101.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.11 -49.09 43.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -58.4 -60.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm -37.58 -64.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 189' ' ' VAL . 4.6 mm100 -72.28 -38.61 68.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.23 -65.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.16 35.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 186' ' ' GLN . 3.3 t -94.24 22.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -121.56 -64.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -49.59 -22.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.625 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -71.6 131.55 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.455 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 53.73 101.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -48.33 -56.23 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -39.82 -50.26 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.99 -58.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 189' ' ' VAL . 20.9 tptp -37.05 -62.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.0 mm100 -50.65 -47.69 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.607 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -39.09 -63.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.99 -34.2 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.1 t -98.21 26.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -119.2 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 190' ' ' THR . 71.7 p -49.62 -25.46 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -80.57 -55.68 4.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.45 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -70.49 114.36 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 3.5 pttt 40.14 74.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -59.17 -61.78 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.49 -35.0 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -74.01 -47.39 42.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.598 ' O ' HD12 ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.7 t-20 -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER -37.73 -63.91 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 187' ' ' HIS . 11.6 mm-40 -64.35 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.913 ' O ' HG23 ' A' ' 190' ' ' THR . 1.4 t-160 -37.68 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -34.81 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 193' ' ' THR . 87.3 t -92.23 42.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.4 p -45.2 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.64 8.02 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -39.98 96.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.79 ' HB ' HG13 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -96.0 -48.99 5.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 53.61 101.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -73.29 -65.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 1.052 ' CE1' HG23 ' A' ' 176' ' ' VAL . 45.5 p90 -47.08 -33.36 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 1.052 HG23 ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -74.54 -57.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.625 ' O ' HD12 ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.781 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.7 t-20 -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.1 OUTLIER -36.52 -63.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.4 mm100 -59.28 -42.53 91.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.482 ' CB ' HG13 ' A' ' 184' ' ' ILE . 8.7 t-160 -39.34 -66.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -35.47 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.4 t -95.4 23.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -121.05 -63.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -50.07 -29.87 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.7 -64.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -93.13 131.43 38.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.97 86.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -50.32 -59.36 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -38.81 -49.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.92 -49.98 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt -38.1 -62.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -44.0 -51.04 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.828 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -41.1 -62.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.57 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.597 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -54.72 -30.77 57.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' A' ' 192' ' ' THR . 3.5 t -100.24 50.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -82.24 -99.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -20.59 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.561 ' CG2' HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -65.19 -44.5 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 0.3 OUTLIER -83.87 161.72 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.386 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 2.3 tttt 63.48 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -43.42 -56.2 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -39.69 -52.27 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.91 -54.84 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.87 -63.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.0 OUTLIER -55.39 -41.06 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -38.46 -66.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.613 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.1 -35.6 36.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 186' ' ' GLN . 9.6 t -94.85 22.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.22 -57.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.438 ' N ' HG22 ' A' ' 190' ' ' THR . 1.4 m -58.79 -50.42 74.02 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.536 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -60.0 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 193' ' ' THR . 42.3 p -55.51 153.12 8.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 193' ' ' THR . 7.2 mttm 39.98 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' HIS . 23.6 t-20 -50.41 -56.63 10.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -38.88 -47.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -64.54 -44.68 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' ASN . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.754 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? -37.01 -62.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.1 mm100 -51.65 -46.95 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.601 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -39.03 -62.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.601 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.89 -34.39 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.42 24.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.619 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -118.32 -67.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.619 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -51.18 -23.66 3.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -40.45 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -82.97 153.51 24.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.439 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 193' ' ' THR . 5.2 pttp 39.37 53.74 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.595 1.184 . . . . 0.0 111.013 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -67.36 -51.75 48.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -41.67 -45.83 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -60.62 -59.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.765 ' HA ' HG22 ' A' ' 184' ' ' ILE . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.765 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER -36.31 -64.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 190' ' ' THR . 9.0 mm-40 -59.19 -42.66 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.482 ' CB ' HG13 ' A' ' 184' ' ' ILE . 8.6 t-160 -39.15 -66.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -35.58 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.9 t -95.1 22.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.71 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.57 -71.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.71 ' N ' HG22 ' A' ' 190' ' ' THR . 71.9 p -49.63 -23.13 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -84.21 -65.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.629 ' N ' HG22 ' A' ' 192' ' ' THR . 42.2 p -55.6 -52.3 64.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.72 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.81 -61.05 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -43.38 -49.57 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.88 -51.09 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt -39.8 -63.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 189' ' ' VAL . 2.6 mm-40 -55.45 -41.25 72.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.436 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -38.03 -68.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.63 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.8 m -49.76 -35.65 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.486 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.4 t -96.01 27.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -125.88 -59.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -49.97 -29.46 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.68 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.27 -68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.433 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.68 ' N ' HG22 ' A' ' 192' ' ' THR . 43.0 p -55.31 118.17 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 9.7 mttt 40.08 87.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.397 1.061 . . . . 0.0 110.985 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.493 ' N ' ' CE1' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.72 -60.8 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.888 ' CE2' HG23 ' A' ' 176' ' ' VAL . 26.3 p90 -49.28 -42.63 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.888 HG23 ' CE2' ' A' ' 175' ' ' PHE . 2.3 t -64.79 -58.04 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.771 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.6 t-20 -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt -36.33 -64.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm100 -59.8 -44.4 93.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.828 ' O ' HG23 ' A' ' 190' ' ' THR . 17.0 t-160 -39.62 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.63 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.04 -36.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 189' ' ' VAL . 89.1 t -90.18 41.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.5 OUTLIER -46.07 -86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 190' ' ' THR . 2.1 p -160.11 32.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -42.08 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -71.64 169.16 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 110.449 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 39.98 80.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.18 -43.56 98.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -45.19 -46.68 12.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.43 -58.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.652 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -37.8 -64.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 189' ' ' VAL . 11.2 mm-40 -71.9 -37.93 70.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.472 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.28 -63.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 192' ' ' THR . 0.9 OUTLIER -55.38 -32.76 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.2 t -101.56 36.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 191' ' ' THR . 0.3 OUTLIER -121.14 -54.99 1.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.38 7.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 188' ' ' THR . 0.6 OUTLIER -101.26 -47.74 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.462 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -96.29 -57.0 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 193' ' ' THR . 0.2 OUTLIER 50.14 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -53.85 -58.12 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.419 ' HD2' HG23 ' A' ' 176' ' ' VAL . 20.6 t80 -39.45 -57.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 175' ' ' PHE . 2.4 t -61.32 -53.2 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.751 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.789 ' HA ' HG22 ' A' ' 184' ' ' ILE . 3.7 t-20 -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 189' ' ' VAL . 30.6 tptt -36.52 -63.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 190' ' ' THR . 3.7 mm100 -59.41 -43.22 93.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 11.0 t-160 -39.21 -65.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -35.44 40.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.4 t -95.43 22.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -119.94 -52.26 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 194' ' ' LYS . 77.1 p -66.61 -52.97 39.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -50.6 40.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -33.72 61.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 191' ' ' THR . 7.8 mmtt 41.67 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -49.96 -59.12 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.49 -48.65 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.89 -52.51 43.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.749 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.749 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER -38.16 -62.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -42.52 -54.2 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -40.34 -63.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.617 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.27 -33.54 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 186' ' ' GLN . 5.8 t -95.22 39.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.988 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -38.54 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 25.7 p -149.13 19.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -67.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.427 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -71.14 122.28 19.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 17.7 mttt 40.02 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.91 -49.61 76.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -41.62 -53.94 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.02 -60.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.752 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.633 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -39.65 -63.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -55.43 -41.18 72.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.22 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -38.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 189' ' ' VAL . 76.4 t -89.17 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.6 p -50.21 -72.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 191' ' ' THR . 0.6 OUTLIER -161.24 26.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -52.33 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 40.9 p -55.46 119.92 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.5 -79.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.579 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.28 -64.2 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.579 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 2.9 p90 -43.4 -30.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -77.11 -57.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.774 ' HA ' HG22 ' A' ' 184' ' ' ILE . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -36.47 -64.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.8 mm-40 -58.92 -42.75 90.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 8.5 t-160 -39.18 -66.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -34.18 30.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.1 t -96.7 23.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.78 -62.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.529 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -53.25 -39.88 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.388 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -71.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.644 HG22 ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -88.65 -62.42 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.644 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 72.47 101.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.587 1.179 . . . . 0.0 110.986 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -58.92 -60.3 4.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -42.61 -40.3 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.26 -47.35 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.744 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.744 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt -39.81 -63.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.4 mm100 -55.43 -41.1 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.997 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.33 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.39 -32.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.813 HG12 HG22 ' A' ' 193' ' ' THR . 4.5 t -93.99 48.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.997 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -72.24 -102.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 69.7 p -69.97 -26.56 64.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.74 -45.62 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.433 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.813 HG22 HG12 ' A' ' 189' ' ' VAL . 69.6 p -42.16 -56.67 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 39.99 88.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.22 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 177' ' ' HIS . 4.5 m120 -75.9 -59.38 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.582 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 5.4 p90 -48.01 -24.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.441 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -80.78 -39.33 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 174' ' ' ASN . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.722 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.67 ' O ' HG23 ' A' ' 189' ' ' VAL . 2.4 tttt -38.71 -64.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm-40 -52.75 -53.87 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 190' ' ' THR . 2.5 t-80 -39.43 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.4 m -41.91 -33.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 185' ' ' LYS . 15.8 t -94.78 44.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 187' ' ' HIS . 2.4 p -48.78 -63.26 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.81 37.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -53.91 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -93.08 131.21 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 193' ' ' THR . 6.2 pttt 39.14 56.98 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -63.53 -71.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 176' ' ' VAL . 29.2 p90 -53.08 -19.52 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 175' ' ' PHE . 2.3 t -82.0 -41.48 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.553 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.8 t-20 -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 189' ' ' VAL . 13.5 tptm -38.15 -63.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.8 mm-40 -64.96 -61.82 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 190' ' ' THR . 1.3 t-160 -36.97 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.657 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -30.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.62 HG13 HG22 ' A' ' 192' ' ' THR . 71.7 t -99.3 46.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -80.96 -98.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 56.2 p -52.28 -20.55 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.62 HG22 HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -65.4 -44.65 86.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.555 ' HB ' HG12 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -86.56 147.59 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.409 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -36.83 119.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -43.9 -55.74 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -42.84 -45.77 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.65 -46.51 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.569 HD13 ' HE2' ' A' ' 185' ' ' LYS . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.1 OUTLIER -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.3 mm-40 -60.7 -59.69 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 190' ' ' THR . 0.1 OUTLIER -37.66 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.575 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.441 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -41.16 -35.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.939 HG13 ' HB ' ' A' ' 193' ' ' THR . 58.1 t -92.62 45.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.3 OUTLIER -76.34 -51.67 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 193' ' ' THR . 0.9 OUTLIER -134.14 -41.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.478 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 191' ' ' THR . 0.3 OUTLIER -35.91 -34.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.939 ' HB ' HG13 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -100.05 134.22 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.06 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.995 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -44.76 -57.08 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 175' ' ' PHE . 4.8 t80 -40.77 -48.92 3.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.15 -51.3 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.753 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.753 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm -38.59 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 189' ' ' VAL . 10.1 mm-40 -60.59 -53.3 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.857 ' O ' HG23 ' A' ' 190' ' ' THR . 4.9 t-160 -38.74 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.51 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -37.66 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.677 ' O ' HG12 ' A' ' 189' ' ' VAL . 77.7 t -95.93 49.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -92.18 -85.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 m -50.09 -22.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -74.97 -46.65 33.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.467 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.612 ' HB ' HG12 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -92.39 149.97 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 4.8 mtpt 40.03 79.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 4.8 t60 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.74 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.74 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.588 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.62 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 184' ' ' ILE . 20.9 tptp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.598 ' O ' HD12 ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.625 ' O ' HD12 ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.781 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.754 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.765 ' HA ' HG22 ' A' ' 184' ' ' ILE . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.765 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.771 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.652 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.751 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.789 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 30.6 tptt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.749 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.749 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.752 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.633 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.774 ' HA ' HG22 ' A' ' 184' ' ' ILE . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.744 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.744 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.722 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 181' ' ' ASN . 2.4 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.553 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 181' ' ' ASN . 13.5 tptm . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.569 HD13 ' HE2' ' A' ' 185' ' ' LYS . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.569 ' HE2' HD13 ' A' ' 182' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.753 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.753 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -70.24 -49.3 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 176' ' ' VAL . 50.7 p90 -63.35 -48.25 78.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.584 ' N ' ' CD1' ' A' ' 175' ' ' PHE . 0.3 OUTLIER -59.07 -48.63 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 176' ' ' VAL . 4.8 t60 -44.13 -31.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 182' ' ' ILE . 3.1 t70 -75.14 -44.75 45.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.57 -42.84 98.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.18 -74.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.6 46.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 178' ' ' ASP . 42.3 mt -52.93 -30.66 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -85.38 -39.5 17.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -71.55 -16.09 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -39.82 -63.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.235 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 3.8 mm100 -55.41 -41.0 72.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.441 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.46 -66.18 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -35.86 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 189' ' ' VAL . 17.4 t -94.36 22.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.66 -55.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.8 p -50.18 -30.79 12.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.54 -68.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.673 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -92.96 140.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 193' ' ' THR . 20.9 mmtt 39.97 86.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.506 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -74.13 -66.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.538 ' CD1' HG23 ' A' ' 176' ' ' VAL . 8.4 p90 -42.43 -35.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -71.72 -49.94 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -47.27 -30.12 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.638 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.8 t0 -74.97 -44.32 48.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -42.55 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.81 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.3 t-20 -49.67 -46.48 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.19 -29.94 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.62 -38.28 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.46 -14.36 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tppt? -37.6 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 189' ' ' VAL . 14.9 mm-40 -72.17 -38.61 69.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.47 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.25 -64.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -36.16 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 189' ' ' VAL . 21.9 t -93.31 21.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.53 -61.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -50.53 -32.56 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.37 -60.34 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -92.98 131.15 38.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.71 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 110.939 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.84 -56.6 18.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -41.57 -50.15 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -54.9 -61.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -44.75 -28.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.3 -45.03 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.39 -41.75 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 108.25 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -45.93 -72.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.732 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.4 t-20 -48.75 -45.98 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.36 -29.88 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.64 -38.72 16.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -73.15 -14.95 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -39.69 -63.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 7.3 mm-40 -55.52 -41.24 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.905 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.21 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.582 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.88 -38.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.49 ' CG1' ' OG1' ' A' ' 193' ' ' THR . 5.7 t -89.28 45.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.5 p -49.08 -61.94 1.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.8 35.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -47.27 10.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.393 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.49 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -70.98 -57.41 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.68 101.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.28 -56.32 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.887 ' CZ ' HG23 ' A' ' 176' ' ' VAL . 3.3 p90 -53.75 -25.2 17.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.887 HG23 ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -84.04 -50.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -47.16 -39.46 13.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.7 t70 -75.97 -34.1 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.64 97.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.38 -74.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 8.4 t-20 -49.55 -45.66 47.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.7 mm -52.15 -30.38 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.21 -38.52 20.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -74.35 -16.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.5 OUTLIER -37.57 -63.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.4 mm-40 -72.19 -38.51 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 191' ' ' THR . 0.7 OUTLIER -38.68 -65.41 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.09 -35.98 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 189' ' ' VAL . 39.5 t -93.67 21.3 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.18 -52.88 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.481 ' CG2' ' CE1' ' A' ' 187' ' ' HIS . 40.7 p -51.32 -35.5 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -90.27 -63.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -90.55 142.54 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.478 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 64.34 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.635 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -61.1 -33.56 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.635 ' CE2' ' N ' ' A' ' 173' ' ' ASN . 35.7 p90 -77.84 2.59 16.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -122.77 -47.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -44.44 -38.49 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.4 t70 -70.14 -41.98 73.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.44 -42.72 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.74 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.83 -74.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.74 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.58 -46.4 48.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.8 mm -52.17 -29.97 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.55 -38.46 17.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.443 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.2 tt -73.24 -14.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 184' ' ' ILE . 6.7 tptp -37.68 -64.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 187' ' ' HIS . 5.0 mm-40 -71.66 -37.65 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.861 ' O ' HG23 ' A' ' 190' ' ' THR . 0.5 OUTLIER -38.86 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.522 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.45 -31.16 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.631 HG13 HG21 ' A' ' 192' ' ' THR . 14.9 t -99.08 50.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -90.0 -90.34 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 85.2 m -52.56 -20.35 2.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.631 HG21 HG13 ' A' ' 189' ' ' VAL . 0.5 OUTLIER -63.8 -62.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.589 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -70.3 176.13 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 110.454 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.4 mmtt 40.01 79.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -57.76 -64.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.753 ' CZ ' HG23 ' A' ' 176' ' ' VAL . 6.1 p90 -47.87 -23.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.753 HG23 ' CZ ' ' A' ' 175' ' ' PHE . 2.3 t -85.82 -55.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -46.87 -33.85 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.0 t70 -73.79 -41.79 61.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -42.67 96.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.73 -74.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.47 -46.5 48.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -52.25 -29.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.61 -38.39 17.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.32 -14.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 15.2 tptt -37.63 -64.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 189' ' ' VAL . 22.8 mm-40 -71.98 -38.39 69.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.08 -64.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.613 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.13 -36.08 38.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.702 ' O ' HG12 ' A' ' 189' ' ' VAL . 79.9 t -93.17 21.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.86 -58.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -50.09 -29.79 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.672 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.68 -67.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.672 ' N ' HG22 ' A' ' 192' ' ' THR . 41.0 p -55.96 114.38 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.406 1.066 . . . . 0.0 110.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 40.03 83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -54.62 -55.77 26.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -41.06 -50.05 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.05 -51.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -47.84 -28.23 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.566 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.449 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.7 t0 -76.8 -44.04 34.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -43.05 97.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.75 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.22 -74.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.75 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.97 -45.22 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 5.8 mm -52.72 -32.16 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.14 -39.0 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.503 HG12 ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -72.09 -23.1 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.6 tptm -37.8 -62.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.2 OUTLIER -43.8 -51.39 7.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.22 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.986 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -40.28 -63.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.663 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.58 -33.65 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.4 t -95.72 44.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.986 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -45.41 -60.42 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.76 34.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.03 -55.08 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.436 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -93.31 -42.08 9.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.545 ' N ' ' CE2' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -70.47 -55.44 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 176' ' ' VAL . 31.4 p90 -54.16 -35.58 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.882 HG23 ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -70.65 -56.22 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -47.86 -34.22 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.65 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.588 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -78.81 -32.96 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.92 -43.11 93.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.756 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.62 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.756 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.0 t-20 -49.7 -46.62 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 178' ' ' ASP . 43.2 mt -51.98 -30.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.13 -38.61 17.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.4 tt -73.21 -14.27 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -37.67 -64.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 189' ' ' VAL . 6.5 mm100 -72.22 -38.66 68.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.11 -64.28 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.649 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -36.02 41.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 189' ' ' VAL . 72.0 t -92.93 20.57 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -119.94 -44.85 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 m -63.34 -56.76 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.445 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -61.73 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -101.16 126.88 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 40.24 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -57.45 -52.11 66.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -41.42 -47.69 3.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.94 -44.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -46.82 -30.96 2.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.521 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 4.3 t70 -77.76 -43.51 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -43.16 96.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.44 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.6 t-20 -49.81 -44.93 49.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 36.8 mt -53.4 -32.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.44 -39.24 32.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.579 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.0 OUTLIER -72.48 -24.75 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER -38.22 -61.83 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.223 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 190' ' ' THR . 4.0 mm-40 -51.52 -46.94 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 188' ' ' THR . 0.0 OUTLIER -39.0 -63.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.605 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.66 -34.55 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.21 24.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -118.47 -69.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -50.55 -21.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.08 -52.35 6.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -68.6 -48.03 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 2.7 mtpt 40.06 89.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -68.3 -59.18 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 175' ' ' PHE . 2.1 t80 -49.92 -33.78 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.52 -56.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.69 -39.04 16.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.648 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.16 -38.57 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -43.52 88.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 108.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.19 -73.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.83 -46.34 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 7.8 mm -52.62 -32.01 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -84.57 -39.46 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.62 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.96 -15.21 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -38.12 -63.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.5 mm100 -65.44 -62.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.008 ' O ' HG23 ' A' ' 190' ' ' THR . 0.1 OUTLIER -36.65 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.561 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -39.9 -31.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.457 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 189' ' ' VAL . 98.2 t -96.56 47.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER -62.39 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 10.5 p -88.0 16.61 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.366 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.649 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -70.2 -66.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.422 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.649 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -73.38 146.51 45.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.382 1.051 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 53.6 101.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.19 -57.29 4.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.11 -49.09 43.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -58.4 -60.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.0 -31.6 2.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.8 t70 -73.1 -42.82 62.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.67 -42.8 95.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 108.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.54 -73.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.57 -46.57 49.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.11 -30.02 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.59 -38.32 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.5 tt -73.45 -14.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 184' ' ' ILE . 8.0 tptm -37.58 -64.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 189' ' ' VAL . 4.6 mm100 -72.28 -38.61 68.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER -39.23 -65.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.598 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.16 35.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 186' ' ' GLN . 3.3 t -94.24 22.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -121.56 -64.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -49.59 -22.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.625 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -71.6 131.55 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.455 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 53.73 101.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -48.33 -56.23 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -39.82 -50.26 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.99 -58.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.21 -37.72 7.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 13.8 t0 -71.15 -42.58 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.11 96.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.755 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.48 -74.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.755 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -50.06 -45.06 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.3 mm -52.8 -33.38 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.63 -39.19 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.611 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.53 -24.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.21 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 189' ' ' VAL . 20.9 tptp -37.05 -62.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.3 mm-40 -50.65 -47.69 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.611 ' CD2' ' CG1' ' A' ' 184' ' ' ILE . 0.0 OUTLIER -39.09 -63.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.99 -34.2 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.1 t -98.21 26.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -119.2 -68.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 190' ' ' THR . 71.7 p -49.62 -25.46 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -80.57 -55.68 4.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.45 ' N ' HG22 ' A' ' 192' ' ' THR . 0.8 OUTLIER -70.49 114.36 8.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 3.5 pttt 40.14 74.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -59.17 -61.78 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.49 -35.0 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -74.01 -47.39 42.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.598 ' O ' HD12 ' A' ' 182' ' ' ILE . 9.0 t0 -77.76 -41.69 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.8 -43.15 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.15 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.37 -45.57 46.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.4 mt -52.42 -31.47 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -39.24 18.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.26 -14.91 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER -37.73 -63.91 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 187' ' ' HIS . 11.6 mm-40 -64.35 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.913 ' O ' HG23 ' A' ' 190' ' ' THR . 0.1 OUTLIER -37.68 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -34.81 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 193' ' ' THR . 87.3 t -92.23 42.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.4 p -45.2 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.64 8.02 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -39.98 96.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.79 ' HB ' HG13 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -96.0 -48.99 5.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 53.61 101.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -73.29 -65.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 1.052 ' CE1' HG23 ' A' ' 176' ' ' VAL . 45.5 p90 -47.08 -33.36 4.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 1.052 HG23 ' CE1' ' A' ' 175' ' ' PHE . 2.3 t -74.54 -57.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -43.1 -29.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.625 ' O ' HD12 ' A' ' 182' ' ' ILE . 4.7 t70 -77.06 -47.44 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.23 -41.72 96.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.86 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.781 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.52 -46.33 48.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 178' ' ' ASP . 44.5 mt -52.48 -29.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.55 -35.66 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.87 -11.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.1 OUTLIER -36.52 -63.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.4 mm100 -59.28 -42.53 91.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.482 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.34 -66.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -35.47 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.4 t -95.4 23.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -121.05 -63.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -50.07 -29.87 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -87.7 -64.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 192' ' ' THR . 0.3 OUTLIER -93.13 131.43 38.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.97 86.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -50.32 -59.36 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -38.81 -49.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.92 -49.98 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.65 -33.24 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.446 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 2.3 t70 -72.64 -42.55 64.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -42.82 96.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.739 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.51 -74.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.739 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.4 t-20 -49.97 -45.31 51.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 6.0 mm -52.71 -32.36 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -80.07 -38.82 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.08 -23.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 184' ' ' ILE . 7.5 tptt -38.1 -62.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -44.0 -51.04 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.828 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -41.1 -62.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.57 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.597 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -54.72 -30.77 57.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' A' ' 192' ' ' THR . 3.5 t -100.24 50.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -82.24 -99.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -20.59 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.561 ' CG2' HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -65.19 -44.5 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 0.3 OUTLIER -83.87 161.72 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.386 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 2.3 tttt 63.48 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -43.42 -56.2 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -39.69 -52.27 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.91 -54.84 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.69 -27.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -77.68 -45.03 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.45 96.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.8 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 3.6 t-20 -49.65 -46.15 49.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.8 mt -52.55 -29.65 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.077 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.57 -38.73 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.599 1.187 . . . . 0.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.63 -15.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.87 -63.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.0 OUTLIER -55.39 -41.06 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.46 -66.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.613 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.1 -35.6 36.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 186' ' ' GLN . 9.6 t -94.85 22.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -120.22 -57.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.438 ' N ' HG22 ' A' ' 190' ' ' THR . 1.4 m -58.79 -50.42 74.02 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.536 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -60.0 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 193' ' ' THR . 42.3 p -55.51 153.12 8.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 193' ' ' THR . 7.2 mttm 39.98 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' HIS . 23.6 t-20 -50.41 -56.63 10.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -38.88 -47.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.3 t -64.54 -44.68 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' ASN . 5.8 t-160 -45.37 -33.25 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.91 -43.47 44.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -63.58 -42.63 98.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.264 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.34 -74.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.754 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.82 -45.33 49.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.71 -33.29 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -78.57 -39.26 38.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.633 ' CG1' ' CD2' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -71.41 -24.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tppt? -37.01 -62.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.1 mm100 -51.65 -46.95 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.633 ' CD2' ' CG1' ' A' ' 184' ' ' ILE . 0.0 OUTLIER -39.03 -62.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.601 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -54.89 -34.39 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.8 t -97.42 24.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.619 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -118.32 -67.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.619 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -51.18 -23.66 3.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -40.45 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -82.97 153.51 24.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.439 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 193' ' ' THR . 5.2 pttp 39.37 53.74 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.595 1.184 . . . . 0.0 111.013 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -67.36 -51.75 48.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -41.67 -45.83 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -60.62 -59.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -47.6 -27.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.521 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 3.6 t0 -76.56 -40.51 49.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.57 -42.86 91.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.371 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.65 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.765 ' HA ' HG22 ' A' ' 184' ' ' ILE . 7.6 t-20 -49.29 -46.73 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 4.4 mm -51.77 -29.75 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -87.72 -36.9 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.765 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -75.7 -11.85 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.4 OUTLIER -36.31 -64.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 190' ' ' THR . 9.0 mm-40 -59.19 -42.66 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.482 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.15 -66.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.622 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -35.58 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.9 t -95.1 22.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.71 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.57 -71.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.71 ' N ' HG22 ' A' ' 190' ' ' THR . 71.9 p -49.63 -23.13 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -84.21 -65.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.629 ' N ' HG22 ' A' ' 192' ' ' THR . 42.2 p -55.6 -52.3 64.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.72 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.81 -61.05 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -43.38 -49.57 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.88 -51.09 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -46.15 -28.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.591 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 6.4 t0 -76.98 -45.67 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -42.51 98.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 0.0 108.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.93 -74.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.1 t-20 -49.46 -46.05 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.72 -29.65 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.49 -38.75 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 110.452 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.53 -15.6 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.4 tptt -39.8 -63.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 189' ' ' VAL . 2.6 mm-40 -55.45 -41.25 72.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.436 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.4 OUTLIER -38.03 -68.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.63 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.8 m -49.76 -35.65 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.486 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.4 t -96.01 27.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -125.88 -59.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 190' ' ' THR . 1.2 m -49.97 -29.46 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.68 HG22 ' N ' ' A' ' 193' ' ' THR . 0.6 OUTLIER -86.27 -68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.433 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.68 ' N ' HG22 ' A' ' 192' ' ' THR . 43.0 p -55.31 118.17 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 9.7 mttt 40.08 87.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.397 1.061 . . . . 0.0 110.985 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.493 ' N ' ' CE1' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.72 -60.8 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.888 ' CE2' HG23 ' A' ' 176' ' ' VAL . 26.3 p90 -49.28 -42.63 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.888 HG23 ' CE2' ' A' ' 175' ' ' PHE . 2.3 t -64.79 -58.04 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -47.46 -25.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 11.6 t0 -77.44 -42.18 37.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -65.46 -42.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.95 -73.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.771 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.33 -46.36 46.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -52.33 -29.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.61 -35.54 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -77.24 -11.0 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.361 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 181' ' ' ASN . 17.0 tttt -36.33 -64.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm100 -59.8 -44.4 93.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.828 ' O ' HG23 ' A' ' 190' ' ' THR . 1.3 t60 -39.62 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.63 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.04 -36.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 189' ' ' VAL . 89.1 t -90.18 41.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.5 OUTLIER -46.07 -86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 190' ' ' THR . 2.1 p -160.11 32.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -42.08 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 194' ' ' LYS . 0.8 OUTLIER -71.64 169.16 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 110.449 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 39.98 80.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.18 -43.56 98.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -45.19 -46.68 12.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.43 -58.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -39.4 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.629 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.652 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.06 -36.01 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.94 89.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.731 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.3 -73.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.731 ' N ' HG12 ' A' ' 180' ' ' VAL . 2.0 t-20 -49.68 -46.56 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 178' ' ' ASP . 40.9 mt -52.05 -30.05 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.54 -38.36 17.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 181' ' ' ASN . 2.3 tt -73.37 -14.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -37.8 -64.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 189' ' ' VAL . 11.2 mm-40 -71.9 -37.93 70.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.472 ' CD2' HG13 ' A' ' 184' ' ' ILE . 0.6 OUTLIER -39.28 -63.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 192' ' ' THR . 0.9 OUTLIER -55.38 -32.76 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 186' ' ' GLN . 2.2 t -101.56 36.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 191' ' ' THR . 0.3 OUTLIER -121.14 -54.99 1.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER -134.38 7.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 188' ' ' THR . 0.6 OUTLIER -101.26 -47.74 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.462 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -96.29 -57.0 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 193' ' ' THR . 0.2 OUTLIER 50.14 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -53.85 -58.12 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.419 ' HD2' HG23 ' A' ' 176' ' ' VAL . 20.6 t80 -39.45 -57.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 175' ' ' PHE . 2.4 t -61.32 -53.2 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.49 -27.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.59 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.3 t0 -78.05 -44.09 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -64.4 -42.65 95.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.751 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.87 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.789 ' HA ' HG22 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -49.44 -46.09 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 178' ' ' ASP . 41.2 mt -52.38 -29.85 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.594 1.184 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.17 -36.05 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.9 OUTLIER -76.52 -11.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 189' ' ' VAL . 30.6 tptt -36.52 -63.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 190' ' ' THR . 3.7 mm100 -59.41 -43.22 93.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -39.21 -65.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -35.44 40.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 185' ' ' LYS . 2.4 t -95.43 22.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 186' ' ' GLN . 0.7 OUTLIER -119.94 -52.26 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 194' ' ' LYS . 77.1 p -66.61 -52.97 39.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -50.6 40.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -33.72 61.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 191' ' ' THR . 7.8 mmtt 41.67 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -49.96 -59.12 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.49 -48.65 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.89 -52.51 43.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -47.68 -28.45 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 182' ' ' ILE . 8.0 t0 -77.61 -42.67 34.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -43.26 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.33 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.749 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.52 -74.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.749 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.2 t-20 -49.77 -44.91 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 178' ' ' ASP . 35.8 mt -53.42 -32.0 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -79.78 -39.08 31.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 110.413 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 185' ' ' LYS . 0.1 OUTLIER -72.97 -22.56 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER -38.16 -62.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.0 OUTLIER -42.52 -54.2 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 190' ' ' THR . 0.0 OUTLIER -40.34 -63.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.617 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -50.27 -33.54 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 186' ' ' GLN . 5.8 t -95.22 39.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.988 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -38.54 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 25.7 p -149.13 19.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -67.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.427 ' OG1' ' CG1' ' A' ' 189' ' ' VAL . 0.8 OUTLIER -71.14 122.28 19.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 193' ' ' THR . 17.7 mttt 40.02 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.91 -49.61 76.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -41.62 -53.94 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.02 -60.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -47.05 -27.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.617 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 10.5 t0 -77.1 -44.28 31.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -42.63 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.383 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -47.89 -74.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.752 ' N ' HG12 ' A' ' 180' ' ' VAL . 4.8 t-20 -49.64 -46.22 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.4 mt -52.49 -29.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.32 -38.78 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.633 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -72.54 -15.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -39.65 -63.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -55.43 -41.18 72.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.22 -77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -38.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 189' ' ' VAL . 76.4 t -89.17 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 187' ' ' HIS . 1.6 p -50.21 -72.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 191' ' ' THR . 0.6 OUTLIER -161.24 26.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -52.33 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 195' ' ' GLY . 40.9 p -55.46 119.92 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.5 -79.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.579 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.28 -64.2 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.579 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 2.9 p90 -43.4 -30.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 179' ' ' CYS . 2.4 t -77.11 -57.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -46.62 -30.62 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.552 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 8.0 t0 -78.6 -39.56 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 176' ' ' VAL . 0.1 OUTLIER -66.04 -42.67 89.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -46.48 -72.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.774 ' HA ' HG22 ' A' ' 184' ' ' ILE . 2.1 t-20 -49.38 -46.74 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.2 mm -51.78 -29.13 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -88.48 -36.11 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -76.65 -11.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -36.47 -64.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 190' ' ' THR . 2.8 mm-40 -58.92 -42.75 90.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.483 ' CB ' HG13 ' A' ' 184' ' ' ILE . 0.8 OUTLIER -39.18 -66.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -34.18 30.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . 4.1 t -96.7 23.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 191' ' ' THR . 0.7 OUTLIER -120.78 -62.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.529 ' N ' HG22 ' A' ' 190' ' ' THR . 1.1 m -53.25 -39.88 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.388 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -71.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.644 HG22 ' N ' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -88.65 -62.42 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.644 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 72.47 101.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.587 1.179 . . . . 0.0 110.986 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -58.92 -60.3 4.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -42.61 -40.3 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.26 -47.35 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -47.84 -30.35 3.99 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.464 1.102 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 182' ' ' ILE . 12.3 t0 -75.99 -42.38 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -42.61 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.744 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.2 t -47.63 -73.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.744 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.5 t-20 -49.67 -46.33 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 178' ' ' ASP . 42.5 mt -52.3 -29.84 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -86.53 -38.66 16.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -72.75 -15.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 181' ' ' ASN . 9.6 tttt -39.81 -63.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 2.4 mm100 -55.43 -41.1 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.997 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -38.33 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.39 -32.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.813 HG12 HG22 ' A' ' 193' ' ' THR . 4.5 t -93.99 48.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.997 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -72.24 -102.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 69.7 p -69.97 -26.56 64.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.74 -45.62 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.433 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.813 HG22 HG12 ' A' ' 189' ' ' VAL . 69.6 p -42.16 -56.67 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 39.99 88.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.22 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 175' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 177' ' ' HIS . 4.5 m120 -75.9 -59.38 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.582 ' CZ ' ' N ' ' A' ' 173' ' ' ASN . 5.4 p90 -48.01 -24.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.441 HG23 ' CD1' ' A' ' 175' ' ' PHE . 2.3 t -80.78 -39.33 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 174' ' ' ASN . 10.6 t-160 -47.61 -42.06 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.492 ' O ' ' CG1' ' A' ' 182' ' ' ILE . 5.0 t70 -71.44 -33.08 69.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -68.37 -44.07 75.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 108.296 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.09 -73.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.722 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -48.94 -43.7 39.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.223 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 178' ' ' ASP . 3.3 mm -56.37 -34.72 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 179' ' ' CYS . 0.5 OUTLIER -81.95 -42.87 18.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.456 HG13 ' CD2' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -73.03 -9.77 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.67 ' O ' HG23 ' A' ' 189' ' ' VAL . 2.4 tttt -38.71 -64.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.5 mm-40 -52.75 -53.87 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 190' ' ' THR . 4.8 t60 -39.43 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.4 m -41.91 -33.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 185' ' ' LYS . 15.8 t -94.78 44.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 187' ' ' HIS . 2.4 p -48.78 -63.26 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 190' ' ' THR . 1.7 p -160.81 37.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -53.91 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 194' ' ' LYS . 0.3 OUTLIER -93.08 131.21 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 193' ' ' THR . 6.2 pttt 39.14 56.98 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -63.53 -71.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.418 1.074 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 176' ' ' VAL . 29.2 p90 -53.08 -19.52 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 175' ' ' PHE . 2.3 t -82.0 -41.48 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -47.4 -35.48 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.553 ' O ' HD12 ' A' ' 182' ' ' ILE . 5.6 t0 -73.56 -40.67 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -43.23 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.737 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.25 -74.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.737 ' N ' HG12 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -49.74 -45.65 49.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 178' ' ' ASP . 34.0 mt -52.45 -31.78 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.96 -39.26 18.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -72.19 -14.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 189' ' ' VAL . 13.5 tptm -38.15 -63.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 189' ' ' VAL . 7.8 mm-40 -64.96 -61.82 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 190' ' ' THR . 0.1 OUTLIER -36.97 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.657 179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -30.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.62 HG13 HG22 ' A' ' 192' ' ' THR . 71.7 t -99.3 46.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.6 OUTLIER -80.96 -98.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 56.2 p -52.28 -20.55 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.62 HG22 HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -65.4 -44.65 86.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.555 ' HB ' HG12 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -86.56 147.59 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.409 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -36.83 119.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -43.9 -55.74 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -42.84 -45.77 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.65 -46.51 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.12 -43.38 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.76 -35.45 72.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 183' ' ' THR . 0.1 OUTLIER -65.84 -43.82 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.742 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.1 t -47.13 -73.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.742 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.3 t-20 -49.98 -46.07 52.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.569 HD13 ' HE2' ' A' ' 185' ' ' LYS . 7.2 mm -52.74 -34.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -81.03 -39.99 24.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.3 -17.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.1 OUTLIER -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.3 mm-40 -60.7 -59.69 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 190' ' ' THR . 0.1 OUTLIER -37.66 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.575 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.441 ' N ' ' CG ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -41.16 -35.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.939 HG13 ' HB ' ' A' ' 193' ' ' THR . 58.1 t -92.62 45.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.3 OUTLIER -76.34 -51.67 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 193' ' ' THR . 0.9 OUTLIER -134.14 -41.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.478 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 191' ' ' THR . 0.3 OUTLIER -35.91 -34.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.939 ' HB ' HG13 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -100.05 134.22 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.06 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.995 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -44.76 -57.08 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 175' ' ' PHE . 4.8 t80 -40.77 -48.92 3.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.15 -51.3 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -47.69 -31.33 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 182' ' ' ILE . 3.3 t0 -71.99 -44.19 63.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -42.64 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.753 HG12 ' N ' ' A' ' 181' ' ' ASN . 1.3 t -48.07 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.753 ' N ' HG12 ' A' ' 180' ' ' VAL . 1.9 t-20 -49.5 -45.9 47.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 178' ' ' ASP . 37.6 mt -52.58 -32.24 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 180' ' ' VAL . 0.5 OUTLIER -83.0 -39.57 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -71.73 -17.44 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' ASN . 6.5 tptm -38.59 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 189' ' ' VAL . 10.1 mm-40 -60.59 -53.3 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.857 ' O ' HG23 ' A' ' 190' ' ' THR . 0.3 OUTLIER -38.74 -87.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.51 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 187' ' ' HIS . 0.8 OUTLIER -37.66 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 -179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.677 ' O ' HG12 ' A' ' 189' ' ' VAL . 77.7 t -95.93 49.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 187' ' ' HIS . 0.7 OUTLIER -92.18 -85.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 m -50.09 -22.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 189' ' ' VAL . 0.6 OUTLIER -74.97 -46.65 33.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.467 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.612 ' HB ' HG12 ' A' ' 189' ' ' VAL . 0.3 OUTLIER -92.39 149.97 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 193' ' ' THR . 4.8 mtpt 40.03 79.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 stop_ save_