data_2jui_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 2jui _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 55.43 111.033 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 62.13 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 72.4 109.33 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.34 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.4 109.607 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 73.22 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 64.12 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.14 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.15 109.309 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 65.04 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 40.12 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.41 110.003 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 63.44 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.42 109.282 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.52 0.2 . . . . 74.41 110.971 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 73.43 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.44 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.03 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.43 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 75.34 109.62 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.23 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.24 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.35 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 64.52 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 75.35 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 75.11 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 62.14 110.011 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 62.11 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 71.14 109.304 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.562 0.22 . . . . 74.24 111.008 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.31 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.54 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.42 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.51 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.42 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.24 109.593 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 75.01 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 73.14 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.1 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.33 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.34 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.04 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 74.1 109.339 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.506 0.193 . . . . 73.23 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.12 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.03 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.22 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 75.41 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.32 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.12 109.565 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.01 109.303 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.52 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 72.23 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.35 109.362 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.12 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 73.13 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.21 110.031 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 62.43 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.22 109.304 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.477 0.18 . . . . 75.02 110.994 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.32 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.04 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.13 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.34 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.34 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.33 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 63.13 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.44 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.45 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.24 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 70.41 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.31 109.973 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 70.45 109.322 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.14 109.294 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.48 0.181 . . . . 74.11 111.021 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 74.22 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 71.35 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.42 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.45 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.14 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 73.44 109.592 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 73.42 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.2 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 43.35 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.32 109.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.22 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.13 110.037 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.1 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.22 109.308 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.438 0.161 . . . . 74.24 110.965 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.44 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.31 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.11 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.01 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.21 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.35 109.573 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 75.14 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.41 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.44 109.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.484 ' N ' HD11 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 74.54 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 74.11 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 72.41 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 74.21 109.288 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 63.34 109.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.511 0.196 . . . . 73.4 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 74.33 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.34 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 73.14 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.12 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' N ' HG13 ' A' ' 15' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.14 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.03 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.15 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 74.24 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.54 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.22 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 74.03 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.32 109.337 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.518 0.199 . . . . 75.25 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.12 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 74.45 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.24 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 71.13 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.15 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.42 109.57 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.41 109.261 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.13 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.31 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 55.01 109.267 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.21 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.52 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 73.13 109.998 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 71.22 109.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 62.42 109.292 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.514 0.197 . . . . 74.3 110.987 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 65.22 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 65.24 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 74.31 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 75.05 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.33 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.24 109.332 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 73.01 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 72.31 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.13 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.2 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.44 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 75.2 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 72.34 109.249 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.534 0.207 . . . . 74.41 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 54.4 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.14 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.13 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.41 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.22 109.598 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.51 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.41 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.33 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.44 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.54 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 73.5 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.44 109.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.4 109.323 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 65.32 109.25 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.53 0.205 . . . . 63.01 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.42 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 72.43 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 72.43 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 74.14 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.22 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.51 109.595 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.43 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 74.43 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.55 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.21 109.284 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.45 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 71.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.41 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.14 109.264 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 70.34 109.276 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.533 0.206 . . . . 73.22 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 63.14 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.15 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.21 109.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.22 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.43 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.24 109.587 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.01 109.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.24 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.22 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.53 109.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 71.22 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.34 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 62.12 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.12 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 45.41 109.259 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.495 0.188 . . . . 72.52 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.33 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 72.53 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.31 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.13 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.54 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.32 109.626 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 72.42 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.35 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.1 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 71.54 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.01 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.42 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 74.34 109.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ALA . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.12 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 75.54 109.344 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.508 0.194 . . . . 74.44 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 74.34 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 75.13 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 65.13 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.35 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.42 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.33 109.633 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.04 109.322 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.41 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.22 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 63.31 109.317 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.458 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 74.4 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 75.33 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.05 109.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 19' ' ' ILE . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.33 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.13 109.319 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.207 . . . . 72.03 111.038 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.11 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 73.4 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.13 110.009 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.53 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.22 109.563 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.44 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.51 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.12 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.32 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.31 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.41 109.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.13 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 73.3 109.249 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.541 0.21 . . . . 74.3 111.033 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.31 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.2 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.13 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.13 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.32 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.54 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.43 109.306 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.33 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.41 109.277 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.51 109.309 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.01 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 73.04 110.016 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 75.24 109.285 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.509 0.195 . . . . 75.21 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 64.31 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 73.14 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.33 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.43 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.32 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 74.44 109.598 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.24 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.12 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.42 109.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.4 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 74.2 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.44 110.023 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.22 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.1 109.304 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.548 0.213 . . . . 74.22 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 74.52 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 64.34 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.42 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.34 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.32 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 62.42 109.621 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.51 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 75.11 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.43 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.24 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.42 109.34 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.459 0.171 . . . . 73.12 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 50.02 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 73.23 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.41 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.11 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 74.21 109.594 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.12 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 65.31 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.11 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.32 109.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.14 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.13 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.14 109.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.23 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 72.54 109.322 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.519 0.199 . . . . 75.24 110.977 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.57 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 74.23 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -32.03 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.24 110.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.51 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 72.43 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.62 14.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.023 -0.831 . . . . 62.15 111.023 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.49 9.55 9.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 74.43 111.042 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.17 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 55.23 109.267 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -169.26 34.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 55.43 111.033 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 62.13 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 72.4 109.33 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.34 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.4 109.607 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 73.22 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 64.12 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.14 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.15 109.309 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 65.04 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 40.12 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.478 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.41 110.003 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 26' ' ' ARG . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 63.44 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -17.36 61.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.42 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.48 17.82 18.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 71.11 110.979 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -144.33 -57.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 63.43 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.4 -39.12 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 74.23 110.298 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.62 -41.89 82.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 72.2 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -17.01 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 71.4 109.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.23 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 73.1 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.35 -11.94 47.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 72.12 109.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.0 -11.18 21.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 70.04 109.979 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.68 -40.06 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 75.43 109.263 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.41 110.326 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.513 0.197 . . . . 74.12 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' ND2' ' N ' ' A' ' 3' ' ' ARG . 2.6 p-10 -141.47 -50.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 63.25 109.287 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -66.84 -15.89 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.2 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 -39.78 3.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 71.44 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.26 -29.96 6.49 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 64.41 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 26.8 p90 -79.84 -19.58 48.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 75.04 111.032 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.598 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.98 -153.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 65.25 109.308 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.94 35.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 74.41 110.971 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 73.43 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.23 109.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.44 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.03 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.43 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 75.34 109.62 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.23 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.24 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.35 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 64.52 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 75.35 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 75.11 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 62.14 110.011 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG13 ' CB ' ' A' ' 26' ' ' ARG . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 62.11 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -17.14 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 71.14 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.7 15.61 29.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 72.1 111.011 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -144.34 -59.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 75.5 109.324 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.63 -20.55 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 74.53 110.293 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' HA2' ' CE ' ' A' ' 30' ' ' LYS . . . -85.66 -32.65 18.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 70.51 111.01 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.4 pt -82.04 -21.3 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.8 . . . . 74.21 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -51.54 63.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.42 109.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' CE ' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -61.62 -14.56 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 70.11 109.252 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.94 -21.06 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 65.34 109.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -44.75 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.14 109.279 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.3 110.327 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.53 0.205 . . . . 74.32 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.83 -49.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 75.14 109.262 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 4.4 mmm180 -92.68 -49.0 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.51 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.49 15.55 17.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 70.42 110.996 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -127.39 -0.49 6.81 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 64.22 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -158.12 -49.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 75.0 110.939 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -61.19 162.97 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.4 109.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.14 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.24 111.008 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.31 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.54 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.42 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.51 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.42 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.24 109.593 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 75.01 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 73.14 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.1 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.33 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.34 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.04 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -17.65 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 74.1 109.339 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.69 16.16 28.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 71.12 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -144.24 -59.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 74.15 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -38.74 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.25 110.314 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -69.17 -42.25 76.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 51.55 110.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -16.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 74.23 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.28 70.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.11 109.273 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.32 -11.95 46.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.31 109.283 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.98 -11.2 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 64.33 109.996 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mm -99.66 -40.15 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.42 109.264 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 70.15 110.294 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.46 0.172 . . . . 65.55 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.46 -61.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 64.54 109.274 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.748 ' NH2' ' HZ1' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -91.17 -22.65 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.14 110.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CE2' ' A' ' 6' ' ' TYR . . . 89.41 -34.47 3.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 71.54 111.021 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 -23.14 9.66 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 73.31 110.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 35.4 p90 -80.17 -32.75 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 74.44 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 12.0 p30 42.46 -163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 71.11 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 165.21 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.23 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.12 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.748 ' HZ1' ' NH2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.03 109.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.22 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 75.41 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.32 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.12 109.565 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.01 109.303 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.52 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 72.23 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.35 109.362 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.12 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 73.13 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.21 110.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG2' ' CD ' ' A' ' 26' ' ' ARG . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 62.43 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.55 -16.92 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.22 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.88 24.92 5.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 72.11 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 29' ' ' LEU . 1.6 mt -141.66 -47.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 75.53 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' CD ' ' CG2' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.37 -49.79 70.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 74.01 110.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 61.04 111.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.03 -17.12 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 70.44 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.53 -31.49 70.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 61.4 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -11.01 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 74.54 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.12 -11.45 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 75.53 110.039 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.48 -41.25 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 64.23 109.295 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 73.21 110.303 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.555 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 54.2 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 75.13 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.62 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 65.02 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -32.2 72.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.55 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 99.38 -36.39 4.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 72.35 110.995 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.7 14.32 12.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 71.11 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -158.68 29.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 75.31 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.542 HD21 ' N ' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -60.23 160.17 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 71.22 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 -178.96 34.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 75.02 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.32 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.04 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.455 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.13 109.977 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.34 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.34 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.33 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 63.13 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.44 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.45 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.24 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 70.41 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 73.31 109.973 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 70.45 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -16.84 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.14 109.294 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.57 20.83 8.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 65.03 111.03 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.495 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.2 mp -144.01 -52.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 73.21 109.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -70.46 -38.16 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 74.2 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.16 75.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 64.42 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -16.95 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 74.52 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.39 -31.2 70.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 74.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -11.93 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 75.12 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -11.2 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 63.41 109.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.64 -40.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 74.3 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 70.3 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.522 0.201 . . . . 74.34 111.006 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.56 -68.05 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.03 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -64.59 -33.83 76.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 73.52 110.277 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.67 -24.76 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 75.03 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.4 27.82 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 63.25 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.6 p90 -158.02 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 72.01 110.982 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -61.07 151.97 29.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 176.34 37.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 74.11 111.021 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 74.22 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 71.35 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.42 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.45 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.14 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 73.44 109.592 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 73.42 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.2 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 43.35 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.32 109.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.22 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.13 110.037 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 26' ' ' ARG . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.1 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.49 62.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.22 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.7 18.86 12.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 74.14 111.042 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -143.73 -56.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 62.35 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' CB ' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.59 -25.91 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.51 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.86 -33.05 34.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 72.42 111.034 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -17.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 70.12 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.41 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 71.34 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.18 -12.33 55.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 71.12 109.306 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.05 -11.13 21.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 74.14 109.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.51 -40.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 74.53 110.29 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 72.12 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -63.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.5 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' ND2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -61.98 -57.46 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 74.45 110.322 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.06 -18.78 23.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 73.41 110.985 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.48 -34.34 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 74.42 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 10.9 p90 -79.9 -15.16 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.4 110.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.3 t-20 39.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 74.11 109.333 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.91 34.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.24 110.965 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.44 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.31 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.11 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.01 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.21 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.35 109.573 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 75.14 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.41 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.44 109.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.484 ' N ' HD11 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 74.54 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 74.11 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 72.41 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 26' ' ' ARG . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 74.21 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -17.69 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 63.34 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.81 15.74 31.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 73.02 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -144.28 -59.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 73.23 109.264 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' CB ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -40.5 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.32 110.279 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.51 -42.16 82.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 65.32 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pt -77.89 -16.93 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 75.23 109.345 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.36 -31.62 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 72.41 109.295 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -11.32 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 70.41 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.84 -11.83 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 72.51 109.983 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.64 -41.24 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.22 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 75.23 110.268 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.7 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.457 0.17 . . . . 75.52 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -174.18 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.14 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.3 OUTLIER -76.05 -16.73 59.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 73.2 110.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.35 -46.46 3.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 72.14 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.08 18.7 23.75 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 61.22 110.983 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.7 25.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 74.42 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 3' ' ' ARG . 79.4 m-20 -61.25 -175.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 60.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -169.32 34.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 73.4 110.974 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 74.33 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.34 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 73.14 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.12 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 ' N ' HG13 ' A' ' 15' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.14 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.03 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.15 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 74.24 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.54 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.22 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 26' ' ' ARG . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 74.03 109.28 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -16.84 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.32 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.55 15.69 26.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 63.13 110.964 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 mp -144.35 -59.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 75.34 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.42 -41.91 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 72.51 110.327 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.63 93.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 52.13 111.011 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.75 -17.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 73.11 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.34 -31.21 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.13 109.325 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -12.04 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 74.25 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -11.14 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 72.13 110.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.63 -40.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 73.32 109.268 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 72.23 110.328 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.467 0.175 . . . . 75.24 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' ND2' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -174.07 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 65.42 109.328 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -27.35 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 75.33 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.91 -37.12 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 74.32 110.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.15 29.13 2.87 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.042 -0.823 . . . . 64.03 111.042 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.5 p90 -157.97 -43.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 75.41 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.99 -153.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 74.5 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.96 34.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 75.25 111.018 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.12 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 74.45 109.28 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.24 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 71.13 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.15 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.42 109.57 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 74.41 109.261 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.13 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.31 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 55.01 109.267 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.21 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.52 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 73.13 109.998 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 26' ' ' ARG . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 71.22 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.57 61.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 62.42 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.06 18.59 21.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 61.34 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 21' ' ' SER . 1.3 mp -144.12 -57.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 71.45 109.326 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -67.08 -41.54 86.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 75.31 110.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.25 -41.44 91.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 75.35 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -16.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 62.1 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.29 -31.66 70.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 74.15 109.337 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -11.35 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.53 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -98.78 -11.84 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.34 110.0 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 -40.93 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 73.51 109.344 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 74.12 110.341 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 27.3 p90 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 75.42 111.0 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.64 -62.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 75.2 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' NH2' ' HD3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.42 -23.05 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.2 110.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 89.46 -34.49 3.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 74.53 110.959 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.32 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.961 -0.856 . . . . 65.53 110.961 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 9.6 p90 -79.84 -16.62 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 73.02 111.031 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.3 p30 43.62 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 71.21 109.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 174.74 38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 74.3 110.987 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 65.22 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 65.24 109.247 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 74.31 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 75.05 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.33 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.24 109.332 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 73.01 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 72.31 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.13 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.2 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.44 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 75.2 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.31 -15.92 62.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 72.34 109.249 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.79 -13.13 11.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 72.11 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -91.84 -36.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 72.03 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 6.6 tpt180 -70.67 -34.14 71.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.23 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.6 -39.71 67.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.463 1.102 . . . . 74.04 110.961 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -77.84 -17.0 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 73.04 109.312 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.72 -26.82 68.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.4 109.301 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -68.86 -12.05 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 74.24 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -11.09 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 54.42 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mm -100.38 -40.9 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 73.21 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.23 110.329 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.473 0.178 . . . . 74.2 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.555 HD21 ' N ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -174.12 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 54.14 109.289 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.555 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.0 OUTLIER -89.72 -28.6 19.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 73.05 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 -39.52 3.04 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.107 . . . . 64.51 111.002 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.49 -16.06 31.98 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.838 . . . . 73.34 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.51 9.55 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 73.31 110.993 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 20.2 p30 -60.23 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 74.14 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.21 40.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 74.41 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 54.4 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.14 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.13 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.41 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.22 109.598 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.51 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.41 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.33 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.44 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.54 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 73.5 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.44 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 26' ' ' ARG . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.4 109.323 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -15.78 61.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 65.32 109.25 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.68 17.31 12.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 70.1 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.495 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -143.89 -55.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 72.44 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.7 tpt180 -71.59 -60.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.13 110.271 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -55.89 -34.91 62.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 71.41 111.025 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -17.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 74.2 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.67 70.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.12 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.69 -12.45 53.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 75.54 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -10.92 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 51.54 109.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.49 -39.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 73.11 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 63.44 110.351 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.3 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.501 0.191 . . . . 71.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.59 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 75.23 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' NH2' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.81 -32.61 71.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 74.04 110.321 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.56 4.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 53.45 110.977 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.54 -37.89 2.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.998 -0.841 . . . . 65.44 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 14.7 p90 -79.84 -20.74 45.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 74.04 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.59 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 14.4 p30 41.96 -162.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 64.33 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.3 OUTLIER -168.86 34.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 63.01 110.999 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.42 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' NH2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 72.43 109.268 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 72.43 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 74.14 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.22 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.51 109.595 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.43 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 74.43 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.55 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.21 109.284 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.45 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 71.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.41 109.995 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 26' ' ' ARG . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.14 109.264 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.51 62.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 70.34 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.77 16.93 16.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.4 110.999 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 75.13 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' CB ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.52 -38.35 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.03 110.312 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.79 -41.7 82.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 53.1 110.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -16.88 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 72.51 109.313 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -30.73 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.1 109.319 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.27 -11.19 48.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 75.14 109.287 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -12.61 20.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.53 109.976 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' ARG . 1.2 mt -100.96 -32.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.4 109.269 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 74.53 110.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.523 ' CD1' ' OG ' ' A' ' 11' ' ' SER . 34.9 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 74.31 111.019 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.522 HD21 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -141.88 -66.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.24 109.309 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CD ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -36.87 79.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.34 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' HA2' ' ND2' ' A' ' 7' ' ' ASN . . . 36.55 32.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 73.33 111.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' ARG . . . -112.93 -37.79 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.002 -0.839 . . . . 71.34 111.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -158.99 25.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 75.2 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' ND2' ' HA2' ' A' ' 4' ' ' GLY . 30.2 p30 -68.26 176.32 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 53.11 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.59 44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 73.22 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 63.14 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' NZ ' HD21 ' A' ' 2' ' ' ASN . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.15 109.341 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.523 ' OG ' ' CD1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.21 109.971 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.22 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.43 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.24 109.587 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.01 109.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.24 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.22 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.53 109.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 71.22 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.34 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 62.12 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.12 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.37 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 45.41 109.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG2' ' A' ' 28' ' ' ILE . . . -112.28 -12.56 13.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 73.23 111.014 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 33.6 mt -92.04 -38.11 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 74.01 109.331 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -22.92 62.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 73.31 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 30' ' ' LYS . . . -81.17 -20.68 64.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 73.2 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -82.21 -28.3 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 72.52 109.311 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -73.26 -42.97 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 73.31 109.332 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.61 -10.92 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 72.42 109.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -83.71 -20.82 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.32 109.961 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.427 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -101.84 -45.43 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 75.3 109.273 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 74.33 110.315 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.546 0.212 . . . . 75.1 110.98 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.37 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 72.52 109.317 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.535 ' H ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.03 -12.84 60.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.43 110.288 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.62 -20.39 50.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 74.5 110.994 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.85 3.54 54.87 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 75.13 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -83.08 2.12 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 73.52 110.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' OD1' ' CB ' ' A' ' 3' ' ' ARG . 8.0 m-20 -59.26 154.06 17.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 72.14 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -169.23 30.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 72.52 111.014 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.33 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 72.53 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.31 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.13 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.54 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.32 109.626 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 72.42 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.35 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.1 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 71.54 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.01 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.42 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 74.34 109.993 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.12 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.54 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 75.54 109.344 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.96 17.12 15.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 55.25 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 21' ' ' SER . 1.3 mp -144.2 -56.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 73.21 109.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' CB ' HG22 ' A' ' 22' ' ' VAL . 2.1 tmt_? -70.48 -38.21 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 73.41 110.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.65 -41.71 82.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 71.53 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -17.02 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 75.53 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -31.22 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.04 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.41 -11.89 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 71.44 109.269 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -99.0 -11.22 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 62.31 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mm -99.61 -40.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 73.15 109.258 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 73.31 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.487 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 37.0 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 73.11 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -141.59 -47.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 71.31 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -64.76 -16.95 63.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 63.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 1' ' ' PHE . . . 90.45 -44.69 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 72.13 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.96 -11.13 57.37 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.011 -0.836 . . . . 62.33 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.47 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -85.25 -19.77 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 75.41 111.028 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 3' ' ' ARG . 8.3 p30 -59.76 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.35 109.268 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.96 42.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 74.44 111.015 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 74.34 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 75.13 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 65.13 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.35 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.42 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.33 109.633 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.04 109.322 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.41 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.22 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 63.31 109.317 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.458 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 74.4 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 75.33 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.05 109.973 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 26' ' ' ARG . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.33 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.76 -14.48 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.13 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.01 16.74 10.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 72.43 110.965 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 21' ' ' SER . 1.4 mp -143.9 -55.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 62.12 109.252 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.22 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.13 110.312 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -54.42 -34.89 55.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 60.33 111.006 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -78.74 -17.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 72.55 109.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -27.78 69.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.14 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.55 -11.83 58.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.31 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.92 -11.74 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 64.35 109.975 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.58 -40.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 71.52 109.286 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 75.14 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.675 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.495 0.188 . . . . 75.5 111.018 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.08 -46.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 16.3 mmm-85 -86.38 -37.12 18.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.41 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 36.66 39.66 0.39 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 71.13 111.047 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.61 11.24 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 72.43 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 10.6 p90 -158.24 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 73.42 111.025 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -60.17 177.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 75.4 109.247 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -170.91 41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.03 111.038 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.11 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 73.4 109.285 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.13 110.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.53 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.22 109.563 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.44 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.51 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.12 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.32 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.31 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.41 109.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.13 109.336 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.02 -16.08 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 73.3 109.249 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.89 16.75 15.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 71.24 111.011 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 21' ' ' SER . 1.3 mp -144.12 -56.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 64.22 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -37.31 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 71.31 110.331 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.12 -41.63 69.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 71.42 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -16.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 73.14 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.33 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 73.24 109.317 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.66 -11.62 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.23 109.329 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.12 -11.05 21.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 72.53 109.966 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.17 -40.5 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.33 109.254 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 33' ' ' ARG . 10.0 mtm105 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 75.24 110.277 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.501 0.191 . . . . 74.21 111.011 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' ND2' ' NH2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.92 -46.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 109.283 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -59.66 -31.13 69.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 74.42 110.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.01 33.21 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 75.42 111.048 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.26 -60.85 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 54.35 110.958 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -85.2 -20.38 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 74.14 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.7 m-80 -59.83 163.4 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.2 109.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.51 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 74.3 111.033 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.31 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.2 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.13 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.13 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.32 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.54 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.43 109.306 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.33 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.41 109.277 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.51 109.309 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.01 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 73.04 110.016 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.87 -16.96 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 75.24 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.87 21.05 8.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 71.54 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.497 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -144.02 -52.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 75.22 109.284 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -70.47 -39.35 74.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.34 110.295 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -67.12 -41.56 92.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 74.31 110.991 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -16.99 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 74.43 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.22 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.41 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.38 -11.89 46.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 74.42 109.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.04 -11.15 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 70.44 110.001 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mm -99.67 -40.16 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.55 109.283 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.13 110.306 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.684 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 72.11 110.995 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.48 -45.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.32 109.329 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 4.9 mmm180 -91.79 -38.55 12.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 74.21 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.17 24.03 1.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 64.34 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.98 -31.45 1.58 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 74.4 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 12.2 p90 -158.05 -42.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 74.24 110.989 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 9.6 p30 40.34 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.54 109.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -169.27 33.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 75.21 111.032 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 64.31 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 73.14 109.323 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.33 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.43 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.32 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 74.44 109.598 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.24 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.12 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.42 109.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.4 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 74.2 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.488 ' OG ' ' CD1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.44 110.023 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.22 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.51 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.1 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.83 16.99 15.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 74.35 111.001 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' CD1' ' OG ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 75.05 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' CB ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.49 -37.88 74.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.45 110.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.82 -41.37 83.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 62.41 111.01 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -16.89 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 72.21 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -31.14 70.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 73.43 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.16 -11.19 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.35 109.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 t -99.22 -12.29 20.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 75.43 109.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.2 mt -100.3 -35.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 70.22 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 32' ' ' ILE . 11.7 ptt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 73.33 110.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.478 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 30.3 p90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.513 0.197 . . . . 75.42 111.012 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -141.36 -50.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.22 109.298 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -17.9 64.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 73.3 110.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 87.71 -42.6 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 71.31 110.988 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.41 14.92 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.035 -0.826 . . . . 42.22 111.035 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -158.68 34.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 73.34 111.001 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -61.21 155.45 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.31 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.9 p90 -168.75 29.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 74.22 111.021 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 74.52 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 64.34 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.42 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.34 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.32 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 62.42 109.621 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.51 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 75.11 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.43 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.24 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG11 ' CB ' ' A' ' 26' ' ' ARG . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -19.06 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.42 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.14 19.75 14.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 74.21 111.04 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -142.92 -57.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 75.42 109.332 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' CB ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.68 -27.21 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 74.34 110.303 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.14 -33.07 37.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 71.25 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -17.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 75.22 109.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.04 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.2 -12.16 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 74.35 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.43 -11.91 20.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 75.34 109.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ARG . 1.4 mm -100.8 -32.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 73.33 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.14 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.432 0.158 . . . . 74.14 111.051 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.607 HD21 ' N ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -174.31 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 75.42 109.29 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.607 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.53 -46.38 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.24 110.301 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 37.76 30.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 73.43 110.995 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -108.8 -24.33 6.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 74.21 110.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -157.99 -42.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 72.23 111.01 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.543 ' CB ' ' NH2' ' A' ' 3' ' ' ARG . 3.4 m120 -71.68 134.45 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 72.14 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -177.71 35.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.12 111.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 50.02 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 73.23 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.41 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.11 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 74.21 109.594 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.12 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 65.31 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.11 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.32 109.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.14 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.13 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.14 109.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.23 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -16.61 62.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 72.54 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.97 17.15 15.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 71.32 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 21' ' ' SER . 1.3 mp -144.18 -56.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 74.13 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' CB ' HG21 ' A' ' 22' ' ' VAL . 3.5 tmt_? -70.47 -37.04 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 74.33 110.321 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.86 -41.09 73.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 72.2 111.053 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 pt -77.83 -16.98 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 72.54 109.336 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -31.22 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.24 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -11.98 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.34 109.332 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -99.02 -11.07 21.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 75.34 110.036 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.71 -40.38 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.22 109.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.44 110.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 53.13 111.033 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 55.13 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 65.31 109.33 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.805 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.34 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.4 109.607 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 71.14 109.327 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 61.33 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.14 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.15 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 53.3 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 24.23 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.41 110.003 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ALA . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 45.22 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.42 109.282 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.52 0.2 . . . . 73.4 110.971 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 72.31 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.44 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.03 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.43 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 72.1 109.62 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.23 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.24 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.35 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 61.43 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 63.11 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 52.44 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 60.31 110.011 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 60.11 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 41.12 109.304 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.562 0.22 . . . . 74.24 111.008 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.31 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.54 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.41 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 63.43 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.35 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.24 109.593 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 53.54 109.297 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 64.24 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.004 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.1 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.33 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.34 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 65.44 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 63.14 109.339 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.506 0.193 . . . . 73.23 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.12 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.03 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.22 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 41.22 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.32 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.12 109.565 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.01 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.21 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 65.21 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.35 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.12 109.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 65.13 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.21 110.031 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 18' ' ' ALA . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 51.24 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.22 109.304 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.477 0.18 . . . . 71.21 110.994 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.32 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.04 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.13 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.34 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.34 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 71.14 109.326 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 62.42 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.44 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.45 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.24 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 41.21 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 72.32 109.973 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 18' ' ' ALA . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 62.43 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.14 109.294 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.48 0.181 . . . . 74.11 111.021 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 44.43 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 51.41 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.42 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.45 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.14 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 71.04 109.592 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.43 109.269 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.2 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 33.15 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.456 ' C ' HG12 ' A' ' 22' ' ' VAL . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 51.23 109.301 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.22 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.13 110.037 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' C ' ' A' ' 19' ' ' ILE . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.1 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.22 109.308 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.438 0.161 . . . . 72.55 110.965 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.44 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.31 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.11 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 63.34 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.21 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.35 109.573 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 54.04 109.304 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.41 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.44 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 62.41 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 50.24 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 65.31 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 18' ' ' ALA . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 71.04 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 44.44 109.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.511 0.196 . . . . 71.25 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 71.01 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.51 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 62.41 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 61.54 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.23 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.03 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 62.31 109.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 71.34 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.54 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.22 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ALA . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 53.32 109.28 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.32 109.337 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.518 0.199 . . . . 62.04 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.12 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 51.42 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.24 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 62.34 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.15 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.42 109.57 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 73.51 109.261 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.52 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.31 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.23 109.267 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 65.14 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.52 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 71.44 109.998 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' ALA . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 65.3 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 60.45 109.292 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.514 0.197 . . . . 73.54 110.987 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 52.04 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 61.34 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 54.22 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.21 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.33 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.24 109.332 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 70.5 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 63.31 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.21 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.2 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 72.44 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 62.24 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 62.02 109.249 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.534 0.207 . . . . 74.41 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 31.33 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.14 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.13 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.23 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.22 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.51 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.41 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.33 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.44 109.32 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.54 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 64.1 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.44 109.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.4 109.323 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.05 109.25 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.53 0.205 . . . . 60.34 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.42 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 71.14 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 55.11 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 70.11 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.22 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.12 109.595 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 54.13 109.326 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 64.13 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.55 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.03 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.45 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 31.14 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.41 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 22' ' ' VAL . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.03 109.264 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 62.42 109.276 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.533 0.206 . . . . 73.13 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 62.31 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.15 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.21 109.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.22 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.43 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.24 109.587 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.01 109.345 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.24 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.22 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.53 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 43.3 109.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.34 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 61.44 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 51.03 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 43.24 109.259 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.495 0.188 . . . . 72.52 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.33 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 71.11 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 71.21 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.13 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.54 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.32 109.626 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 65.52 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.35 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.1 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 61.31 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 52.44 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.42 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 51.24 109.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ALA . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.12 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 54.11 109.344 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.508 0.194 . . . . 73.22 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 11.03 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 70.31 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 55.31 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 63.01 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.42 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.33 109.633 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.04 109.322 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.41 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.22 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 45.34 109.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 35.24 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 51.23 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.05 109.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 19' ' ' ILE . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.21 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 62.31 109.319 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.207 . . . . 65.11 111.038 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.11 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 71.11 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.33 110.009 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.792 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.53 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.22 109.563 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.44 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.42 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.12 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.32 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.31 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.41 109.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 65.15 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 60.33 109.249 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.541 0.21 . . . . 74.3 111.033 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.31 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.2 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.23 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 62.44 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 62.44 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 63.43 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.43 109.306 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.33 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.32 109.277 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.51 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 54.35 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 72.11 110.016 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 18' ' ' ALA . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 53.45 109.285 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.509 0.195 . . . . 75.21 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 42.41 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 64.23 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.33 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.43 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.32 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 63.42 109.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.11 109.297 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.24 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.12 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 72.32 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.4 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 54.31 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.44 110.023 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 18' ' ' ALA . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.22 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.1 109.304 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.548 0.213 . . . . 74.22 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 71.4 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 51.35 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.42 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.34 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 71.11 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 55.11 109.621 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.31 109.341 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 53.52 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.35 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.43 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.24 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 65.43 109.34 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.459 0.171 . . . . 61.34 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 40.13 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 70.14 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.24 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 71.21 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.11 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 72.52 109.594 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.12 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.51 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.11 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.32 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 16' ' ' VAL . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.14 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.13 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.14 109.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 19' ' ' ILE . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 55.41 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 64.02 109.322 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.519 0.199 . . . . 75.24 110.977 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.57 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 43.34 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 HH21 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.79 -32.03 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.52 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.51 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 71.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.62 14.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.023 -0.831 . . . . 62.15 111.023 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.49 9.55 9.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 74.43 111.042 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.17 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 52.15 109.267 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -169.26 34.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 53.13 111.033 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 55.13 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HB2' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 65.31 109.33 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.805 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.34 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.4 109.607 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 71.14 109.327 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 61.33 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.14 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.15 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 53.3 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 24.23 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.41 110.003 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG13 ' HB2' ' A' ' 26' ' ' ARG . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 45.22 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -17.36 61.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.42 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.48 17.82 18.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 71.11 110.979 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.33 -57.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 63.43 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.823 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.4 -39.12 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 70.22 110.298 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.62 -41.89 82.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 43.11 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -77.78 -17.01 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 71.4 109.325 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.981 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.23 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 73.1 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.35 -11.94 47.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 62.22 109.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.0 -11.18 21.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 65.11 109.979 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 28' ' ' ILE . 1.9 mm -99.68 -40.06 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 64.02 109.263 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.41 110.326 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.513 0.197 . . . . 74.12 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.47 -50.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 55.23 109.287 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -15.89 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 63.24 110.323 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 -39.78 3.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 50.24 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.26 -29.96 6.49 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 64.41 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 26.8 p90 -79.84 -19.58 48.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 74.51 111.032 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.598 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.98 -153.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 63.31 109.308 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.94 35.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 73.4 110.971 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 72.31 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.23 109.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.44 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.03 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.43 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 72.1 109.62 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.23 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.24 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.35 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 61.43 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 63.11 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 52.44 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 25' ' ' ILE . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 60.31 110.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 60.11 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -17.14 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 41.12 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.7 15.61 29.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 72.1 111.011 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.34 -59.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 72.34 109.324 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.63 -20.55 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.44 110.293 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' HA2' ' CE ' ' A' ' 30' ' ' LYS . . . -85.66 -32.65 18.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 70.51 111.01 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.4 pt -82.04 -21.3 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.8 . . . . 74.21 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -51.54 63.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.42 109.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' CE ' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -61.62 -14.56 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 62.34 109.252 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.94 -21.06 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 65.34 109.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -44.75 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 65.21 109.279 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.05 110.327 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.53 0.205 . . . . 72.4 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.83 -49.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 71.12 109.262 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 4.4 mmm180 -92.68 -49.0 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 73.32 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.49 15.55 17.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 51.15 110.996 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -127.39 -0.49 6.81 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 62.13 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -158.12 -49.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 62.01 110.939 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 4.0 m-20 -61.19 162.97 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.4 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.14 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.24 111.008 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.31 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.54 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.41 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 63.43 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.35 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.24 109.593 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 53.54 109.297 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 64.24 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.004 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.44 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.1 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.33 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 25' ' ' ILE . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.34 110.006 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 65.44 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -17.65 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 63.14 109.339 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.69 16.16 28.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 34.3 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.24 -59.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 74.15 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -38.74 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.25 110.314 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -69.17 -42.25 76.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 51.55 110.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.58 HD12 HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.81 -16.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 73.54 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.28 70.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.11 109.273 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.818 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.32 -11.95 46.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.11 109.283 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.98 -11.2 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 64.33 109.996 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.66 -40.15 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 73.41 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 62.41 110.294 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.676 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.46 0.172 . . . . 65.55 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.46 -61.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 64.54 109.274 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.786 HH21 ' HZ1' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -91.17 -22.65 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.14 110.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CE2' ' A' ' 6' ' ' TYR . . . 89.41 -34.47 3.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 71.54 111.021 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 -23.14 9.66 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 51.14 110.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 35.4 p90 -80.17 -32.75 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 64.11 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 12.0 p30 42.46 -163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 71.11 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 165.21 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.23 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.12 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.786 ' HZ1' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.03 109.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.22 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 41.22 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.32 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.12 109.565 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.01 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.21 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 65.21 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.35 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.12 109.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 65.13 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.898 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.21 110.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 18' ' ' ALA . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 51.24 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.55 -16.92 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.22 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.88 24.92 5.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 45.21 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 21' ' ' SER . 1.6 mt -141.66 -47.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 73.25 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' CD ' ' CG2' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.37 -49.79 70.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 72.15 110.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 43.31 111.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -78.03 -17.12 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 52.23 109.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.53 -31.49 70.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 53.33 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -11.01 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 74.54 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.12 -11.45 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 75.53 110.039 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 29' ' ' LEU . 1.3 mt -100.48 -41.25 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 55.35 109.295 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 63.25 110.303 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 54.2 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 75.13 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.62 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 65.02 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -32.2 72.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.2 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 99.38 -36.39 4.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 50.31 110.995 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.7 14.32 12.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 71.11 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -158.68 29.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 75.31 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -60.23 160.17 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.21 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 -178.96 34.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 71.21 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.32 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.04 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.455 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.13 109.977 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.34 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.34 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 71.14 109.326 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 62.42 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.44 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.45 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.24 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 41.21 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 72.32 109.973 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.852 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 62.43 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -16.84 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.14 109.294 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.57 20.83 8.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 65.03 111.03 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 21' ' ' SER . 1.2 mp -144.01 -52.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 64.44 109.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.852 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -70.46 -38.16 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 64.12 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.16 75.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 14.04 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -16.95 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 74.52 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.39 -31.2 70.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.31 109.283 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.815 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -11.93 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 75.12 109.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -11.2 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 63.32 109.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.64 -40.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 71.21 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 70.3 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.522 0.201 . . . . 74.34 111.006 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.56 -68.05 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 63.12 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -64.59 -33.83 76.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 71.43 110.277 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.67 -24.76 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 74.21 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.4 27.82 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 63.25 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.6 p90 -158.02 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 72.01 110.982 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -61.07 151.97 29.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 176.34 37.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 74.11 111.021 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 44.43 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 51.41 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.42 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.45 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.14 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 71.04 109.592 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.43 109.269 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.2 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 33.15 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' C ' HG12 ' A' ' 22' ' ' VAL . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 51.23 109.301 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.22 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.13 110.037 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG23 ' CB ' ' A' ' 26' ' ' ARG . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.1 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.49 62.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.22 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.7 18.86 12.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 74.14 111.042 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -143.73 -56.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 25.04 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.825 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.59 -25.91 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.51 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.86 -33.05 34.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 52.43 111.034 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -17.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 70.12 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -61.13 -29.41 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 63.24 109.3 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.18 -12.33 55.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 63.11 109.306 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.05 -11.13 21.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 73.31 109.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.51 -40.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 74.53 110.29 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 71.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -63.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.13 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' ND2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -61.98 -57.46 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 74.45 110.322 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.06 -18.78 23.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 43.41 110.985 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.48 -34.34 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 43.24 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 10.9 p90 -79.9 -15.16 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 71.01 110.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.3 t-20 39.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 70.55 109.333 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.91 34.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.55 110.965 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.44 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.31 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.11 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 63.34 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.21 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.35 109.573 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 54.04 109.304 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.41 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.44 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 62.41 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 50.24 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 25' ' ' ILE . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 65.31 110.014 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 18' ' ' ALA . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 71.04 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -17.69 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 44.44 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.81 15.74 31.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 51.03 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 21' ' ' SER . 1.4 mp -144.28 -59.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 63.23 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -40.5 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 71.4 110.279 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.51 -42.16 82.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 65.32 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pt -77.89 -16.93 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 75.23 109.345 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.36 -31.62 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 63.33 109.295 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.788 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.15 -11.32 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 70.41 109.281 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.84 -11.83 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 72.51 109.983 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.64 -41.24 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 72.14 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.33 110.268 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.7 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.457 0.17 . . . . 75.52 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.18 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 55.14 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -16.73 59.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 73.2 110.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.35 -46.46 3.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 72.14 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.08 18.7 23.75 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 55.23 110.983 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.7 25.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 74.42 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.25 -175.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 60.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -169.32 34.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.25 110.974 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 71.01 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.51 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 62.41 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 61.54 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.23 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.03 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 62.31 109.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 71.34 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.54 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.574 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.22 109.99 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 26' ' ' ARG . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 53.32 109.28 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -16.84 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.32 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.55 15.69 26.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 63.13 110.964 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HD13 ' A' ' 29' ' ' LEU . 1.3 mp -144.35 -59.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 75.34 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.791 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.42 -41.91 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 64.32 110.327 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.63 93.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 52.13 111.011 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.75 -17.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 71.21 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.34 -31.21 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 71.3 109.325 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -12.04 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 73.31 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -11.14 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 53.11 110.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 28' ' ' ILE . 1.9 mm -99.63 -40.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 73.32 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 72.23 110.328 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.467 0.175 . . . . 71.41 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.07 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 65.13 109.328 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -27.35 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 75.33 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.91 -37.12 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 71.13 110.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.15 29.13 2.87 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.042 -0.823 . . . . 64.03 111.042 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.5 p90 -157.97 -43.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 75.41 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.99 -153.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 74.5 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.96 34.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 62.04 111.018 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.12 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 51.42 109.28 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.24 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 62.34 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.15 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.42 109.57 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 73.51 109.261 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.52 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.31 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.23 109.267 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 65.14 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.52 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 71.44 109.998 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 26' ' ' ARG . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 65.3 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.57 61.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 60.45 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.06 18.59 21.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 61.31 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.12 -57.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 71.45 109.326 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.639 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -67.08 -41.54 86.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 75.31 110.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.25 -41.44 91.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 75.35 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -16.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 54.43 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 ' NH1' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.29 -31.66 70.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 65.15 109.337 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -11.35 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.53 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -98.78 -11.84 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.34 110.0 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 -40.93 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 51.52 109.344 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 64.43 110.341 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 27.3 p90 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 72.22 111.0 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.64 -62.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 75.14 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.886 HH21 ' HD3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.42 -23.05 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.22 110.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 89.46 -34.49 3.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 74.53 110.959 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.32 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.961 -0.856 . . . . 65.53 110.961 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 9.6 p90 -79.84 -16.62 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 73.02 111.031 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.3 p30 43.62 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 71.21 109.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 174.74 38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 73.54 110.987 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 52.04 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.886 ' HD3' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 61.34 109.247 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 54.22 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.21 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.33 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.24 109.332 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 70.5 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 63.31 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.21 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.2 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 72.44 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 62.24 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.31 -15.92 62.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 62.02 109.249 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -112.79 -13.13 11.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 70.41 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -91.84 -36.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 71.43 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.922 ' HD2' HD13 ' A' ' 29' ' ' LEU . 6.6 tpt180 -70.67 -34.14 71.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.05 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.6 -39.71 67.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.463 1.102 . . . . 74.04 110.961 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' GLY . 6.6 pt -77.84 -17.0 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 73.04 109.312 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.922 HD13 ' HD2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -61.72 -26.82 68.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 71.35 109.301 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.86 -12.05 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 74.24 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -11.09 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 54.42 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mm -100.38 -40.9 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 72.11 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.23 110.329 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.473 0.178 . . . . 74.2 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.12 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 45.34 109.289 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.6 19.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.22 110.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 -39.52 3.04 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.107 . . . . 40.34 111.002 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.49 -16.06 31.98 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.838 . . . . 73.34 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.51 9.55 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 65.32 110.993 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 20.2 p30 -60.23 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 63.41 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.21 40.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 74.41 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 31.33 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.14 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.13 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.23 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.22 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.51 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.41 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.33 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.44 109.32 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.54 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 64.1 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.647 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.44 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.853 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.4 109.323 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -15.78 61.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.05 109.25 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.68 17.31 12.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 65.35 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -143.89 -55.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 72.42 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.853 ' HB2' HG23 ' A' ' 22' ' ' VAL . 3.7 tpt180 -71.59 -60.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 63.2 110.271 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -55.89 -34.91 62.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 71.41 111.025 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -17.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 72.14 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -63.62 -28.67 70.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.12 109.309 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.69 -12.45 53.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 64.41 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -10.92 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 41.4 109.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.49 -39.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.22 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 63.44 110.351 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.3 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.501 0.191 . . . . 71.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.59 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.3 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' NH2' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.81 -32.61 71.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 70.5 110.321 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.56 4.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 53.45 110.977 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.54 -37.89 2.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.998 -0.841 . . . . 52.34 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 14.7 p90 -79.84 -20.74 45.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 74.04 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.59 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 14.4 p30 41.96 -162.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 60.22 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.3 OUTLIER -168.86 34.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 60.34 110.999 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.42 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' NH2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 71.14 109.268 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 55.11 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 70.11 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.22 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.12 109.595 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 54.13 109.326 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 64.13 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.55 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.03 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.45 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 31.14 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.41 109.995 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.03 109.264 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.51 62.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 62.42 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.77 16.93 16.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.4 110.999 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 75.13 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.52 -38.35 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 73.11 110.312 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.79 -41.7 82.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 53.1 110.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.637 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.89 -16.88 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 63.0 109.313 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -60.62 -30.73 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 70.53 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.27 -11.19 48.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 71.12 109.287 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -12.61 20.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.44 109.976 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 28' ' ' ILE . 1.2 mt -100.96 -32.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.4 109.269 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 73.21 110.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' HB3' ' CA ' ' A' ' 11' ' ' SER . 34.9 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 71.14 111.019 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 -66.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.24 109.309 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.65 ' HD3' ' HZ3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -36.87 79.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.34 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' HA2' ' ND2' ' A' ' 7' ' ' ASN . . . 36.55 32.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 54.24 111.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' ARG . . . -112.93 -37.79 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.002 -0.839 . . . . 71.34 111.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -158.99 25.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 75.2 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' ND2' ' HA2' ' A' ' 4' ' ' GLY . 30.2 p30 -68.26 176.32 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 52.11 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.59 44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 73.13 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 62.31 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.65 ' HZ3' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.15 109.341 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.464 ' CA ' ' HB3' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.21 109.971 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.22 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.43 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.24 109.587 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.01 109.345 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.24 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.22 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.53 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 43.3 109.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.34 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 61.44 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 51.03 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.37 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 43.24 109.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -112.28 -12.56 13.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 73.23 111.014 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 33.6 mt -92.04 -38.11 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 74.01 109.331 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -22.92 62.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 73.31 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . . . -81.17 -20.68 64.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 61.35 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -82.21 -28.3 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 71.32 109.311 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -73.26 -42.97 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 61.33 109.332 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.61 -10.92 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 72.42 109.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.579 ' C ' HD13 ' A' ' 32' ' ' ILE . 46.7 t -83.71 -20.82 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.32 109.961 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -101.84 -45.43 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 75.3 109.273 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 63.04 110.315 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.546 0.212 . . . . 75.1 110.98 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.37 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 72.02 109.317 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' H ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.03 -12.84 60.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.43 110.288 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.62 -20.39 50.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 74.5 110.994 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.85 3.54 54.87 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 75.13 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -83.08 2.12 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 72.53 110.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' OD1' ' CB ' ' A' ' 3' ' ' ARG . 8.0 m-20 -59.26 154.06 17.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 72.14 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -169.23 30.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 72.52 111.014 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.33 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 71.11 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 71.21 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.13 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.54 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.32 109.626 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 65.52 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.35 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.1 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 61.31 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 52.44 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.42 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 51.24 109.993 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.593 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.12 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.54 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 54.11 109.344 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.96 17.12 15.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 54.44 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.2 -56.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 55.51 109.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.593 ' CB ' HG23 ' A' ' 22' ' ' VAL . 2.1 tmt_? -70.48 -38.21 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 72.14 110.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.65 -41.71 82.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 63.23 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.444 HD12 HD11 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -77.77 -17.02 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 60.14 109.33 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.37 -31.22 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 44.24 109.284 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.41 -11.89 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 71.44 109.269 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -99.0 -11.22 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 53.33 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.61 -40.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 73.04 109.258 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 73.31 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.487 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 37.0 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 71.2 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 -47.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 71.31 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -64.76 -16.95 63.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 62.15 110.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 1' ' ' PHE . . . 90.45 -44.69 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 72.13 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.96 -11.13 57.37 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.011 -0.836 . . . . 62.33 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.47 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -85.25 -19.77 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 75.41 111.028 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 3' ' ' ARG . 8.3 p30 -59.76 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 60.34 109.268 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.96 42.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 73.22 111.015 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 11.03 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 70.31 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 55.31 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 63.01 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.42 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.33 109.633 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.04 109.322 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.41 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.22 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 45.34 109.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 35.24 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 51.23 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.732 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.05 109.973 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.21 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.76 -14.48 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 62.31 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' HD13 ' A' ' 28' ' ' ILE . . . -119.01 16.74 10.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 72.43 110.965 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 21' ' ' SER . 1.4 mp -143.9 -55.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 62.12 109.252 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.22 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.13 110.312 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -54.42 -34.89 55.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 60.33 111.006 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 24' ' ' GLY . 3.1 pt -78.74 -17.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 71.4 109.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -63.97 -27.78 69.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.14 109.271 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.55 -11.83 58.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.31 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.92 -11.74 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 64.35 109.975 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.58 -40.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 71.52 109.286 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 74.24 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.675 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.495 0.188 . . . . 63.34 111.018 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.08 -46.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 16.3 mmm-85 -86.38 -37.12 18.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 73.14 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 36.66 39.66 0.39 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.54 111.047 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.61 11.24 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 72.43 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 10.6 p90 -158.24 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 73.42 111.025 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -60.17 177.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 75.4 109.247 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -170.91 41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 65.11 111.038 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.11 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 71.11 109.285 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.33 110.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.792 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.53 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.22 109.563 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.44 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.42 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.12 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.32 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.31 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.41 109.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 65.15 109.336 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.02 -16.08 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 60.33 109.249 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.89 16.75 15.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 71.24 111.011 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 mp -144.12 -56.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 64.22 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -37.31 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 63.2 110.331 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.12 -41.63 69.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 71.42 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -16.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 73.14 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -60.35 -31.33 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.21 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.66 -11.62 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.23 109.329 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.12 -11.05 21.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.22 109.966 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.17 -40.5 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.33 109.254 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 33' ' ' ARG . 10.0 mtm105 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 75.24 110.277 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.501 0.191 . . . . 70.2 111.011 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.934 ' ND2' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.92 -46.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 109.283 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.934 HH21 ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -59.66 -31.13 69.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 74.42 110.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.01 33.21 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 43.34 111.048 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.26 -60.85 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 31.24 110.958 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -85.2 -20.38 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 74.14 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.7 m-80 -59.83 163.4 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 72.11 109.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.51 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 74.3 111.033 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.31 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.2 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.23 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 62.44 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 62.44 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 63.43 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.43 109.306 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.33 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.32 109.277 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.51 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 54.35 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.697 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 72.11 110.016 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.862 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.87 -16.96 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 53.45 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.87 21.05 8.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 71.54 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.02 -52.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 74.15 109.284 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.862 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -70.47 -39.35 74.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.34 110.295 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -67.12 -41.56 92.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 74.31 110.991 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.469 HD12 HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -77.8 -16.99 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 74.15 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -60.39 -31.22 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.35 109.275 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.38 -11.89 46.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 70.22 109.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.04 -11.15 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 50.41 110.001 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.67 -40.16 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.44 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 71.4 110.306 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 64.51 110.995 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.48 -45.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.32 109.329 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 3' ' ' ARG . 4.9 mmm180 -91.79 -38.55 12.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 63.01 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.17 24.03 1.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 52.23 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.98 -31.45 1.58 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 74.4 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 12.2 p90 -158.05 -42.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 73.42 110.989 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 9.6 p30 40.34 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.54 109.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -169.27 33.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 75.21 111.032 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 42.41 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HD2' ' H1 ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 64.23 109.323 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.33 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.43 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.32 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 63.42 109.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.11 109.297 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.24 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.12 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 72.32 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.4 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 54.31 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.44 110.023 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.22 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.51 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.1 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.83 16.99 15.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 45.54 111.001 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 72.1 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.49 -37.88 74.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.45 110.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.82 -41.37 83.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 62.41 111.01 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.56 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -77.9 -16.89 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 71.31 109.338 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.01 HD22 HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -60.47 -31.14 70.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 72.24 109.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.16 -11.19 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.32 109.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 t -99.22 -12.29 20.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 75.43 109.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.01 HD12 HD22 ' A' ' 29' ' ' LEU . 1.2 mt -100.3 -35.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.3 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 32' ' ' ILE . 11.7 ptt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 73.33 110.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 30.3 p90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.513 0.197 . . . . 73.33 111.012 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -141.36 -50.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.22 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -17.9 64.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 73.23 110.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 87.71 -42.6 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 42.55 110.988 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.41 14.92 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.035 -0.826 . . . . 42.22 111.035 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -158.68 34.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 73.34 111.001 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -61.21 155.45 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 73.25 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.9 p90 -168.75 29.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 74.22 111.021 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 71.4 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 51.35 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.42 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.34 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 71.11 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 55.11 109.621 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.31 109.341 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 53.52 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.35 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.43 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.24 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -19.06 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 65.43 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.14 19.75 14.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 74.21 111.04 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -142.92 -57.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 70.41 109.332 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.821 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.68 -27.21 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 74.34 110.303 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.14 -33.07 37.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 71.25 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -17.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 75.22 109.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.821 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 51.55 109.31 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.2 -12.16 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 74.15 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.43 -11.91 20.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 74.22 109.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ARG . 1.4 mm -100.8 -32.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 73.33 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.43 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.432 0.158 . . . . 74.14 111.051 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -174.31 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 75.42 109.29 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.924 HH21 ' CB ' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -65.53 -46.38 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 54.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 37.76 30.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 73.43 110.995 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -108.8 -24.33 6.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 63.34 110.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -157.99 -42.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 72.23 111.01 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.924 ' CB ' HH21 ' A' ' 3' ' ' ARG . 3.4 m120 -71.68 134.45 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 72.14 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -177.71 35.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 61.34 111.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 40.13 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 70.14 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.24 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 71.21 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.11 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 72.52 109.594 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.12 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.51 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.11 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.32 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 16' ' ' VAL . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.14 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.13 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.14 109.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.584 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 55.41 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -16.61 62.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 64.02 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.97 17.15 15.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 71.32 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.18 -56.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 74.13 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmt_? -70.47 -37.04 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 72.52 110.321 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.86 -41.09 73.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 72.01 111.053 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 pt -77.83 -16.98 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 71.35 109.336 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.36 -31.22 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.13 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -11.98 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.34 109.332 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -99.02 -11.07 21.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 75.34 110.036 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.71 -40.38 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.22 109.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.44 110.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 53.130000000000003 111.033 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 55.130000000000003 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 65.310000000000002 109.33 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.805 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.400000000000006 109.607 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 71.140000000000001 109.327 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 61.329999999999998 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.140000000000001 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.150000000000006 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 53.299999999999997 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 24.23 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.409999999999997 110.003 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ALA . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 45.219999999999999 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.420000000000002 109.282 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.52 0.2 . . . . 73.400000000000006 110.971 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 72.310000000000002 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.230000000000004 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 72.099999999999994 109.62 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.230000000000004 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.239999999999995 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 61.43 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 63.109999999999999 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 52.439999999999998 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 60.310000000000002 110.011 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 60.109999999999999 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 41.119999999999997 109.304 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.562 0.22 . . . . 74.239999999999995 111.008 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.310000000000002 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.540000000000006 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 63.43 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.349999999999994 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.239999999999995 109.593 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 53.539999999999999 109.297 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.329999999999998 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 64.239999999999995 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.004 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.439999999999998 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.099999999999994 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.329999999999998 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.340000000000003 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 65.439999999999998 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 63.140000000000001 109.339 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.506 0.193 . . . . 73.230000000000004 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.119999999999997 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.030000000000001 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.219999999999999 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 41.219999999999999 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.120000000000005 109.565 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 65.209999999999994 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.349999999999994 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 65.129999999999995 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.209999999999994 110.031 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 18' ' ' ALA . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 51.240000000000002 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.219999999999999 109.304 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.477 0.18 . . . . 71.209999999999994 110.994 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.319999999999993 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.040000000000006 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 71.140000000000001 109.326 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 62.420000000000002 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.450000000000003 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.239999999999995 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 41.210000000000001 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 72.319999999999993 109.973 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 18' ' ' ALA . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 62.43 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.140000000000001 109.294 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.48 0.181 . . . . 74.109999999999999 111.021 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 44.43 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 51.409999999999997 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.420000000000002 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.140000000000001 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 71.040000000000006 109.592 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.430000000000007 109.269 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.200000000000003 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 33.149999999999999 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.456 ' C ' HG12 ' A' ' 22' ' ' VAL . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 51.229999999999997 109.301 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.219999999999999 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.129999999999995 110.037 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' C ' ' A' ' 19' ' ' ILE . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.099999999999994 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.219999999999999 109.308 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.438 0.161 . . . . 72.549999999999997 110.965 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.439999999999998 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.310000000000002 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.109999999999999 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.573 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 54.039999999999999 109.304 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.439999999999998 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 62.409999999999997 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 50.240000000000002 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 65.310000000000002 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 18' ' ' ALA . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 71.040000000000006 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 44.439999999999998 109.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.511 0.196 . . . . 71.25 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 71.010000000000005 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.140000000000001 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.510000000000005 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 62.409999999999997 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 61.539999999999999 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.030000000000001 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.540000000000006 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.219999999999999 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ALA . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 53.32 109.28 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.337 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.518 0.199 . . . . 62.039999999999999 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 51.420000000000002 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.239999999999995 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 62.340000000000003 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.420000000000002 109.57 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 73.510000000000005 109.261 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.229999999999997 109.267 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 65.140000000000001 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.520000000000003 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 71.439999999999998 109.998 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 18' ' ' ALA . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 65.299999999999997 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.292 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.514 0.197 . . . . 73.540000000000006 110.987 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 52.039999999999999 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 61.340000000000003 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 54.219999999999999 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.209999999999994 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.332 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 70.5 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 63.310000000000002 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.209999999999994 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.200000000000003 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 72.439999999999998 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 62.240000000000002 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 62.020000000000003 109.249 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.534 0.207 . . . . 74.409999999999997 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 31.329999999999998 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.140000000000001 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 109.598 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.510000000000005 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.329999999999998 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.540000000000006 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 64.099999999999994 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.439999999999998 109.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.399999999999999 109.323 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.049999999999997 109.25 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.53 0.205 . . . . 60.340000000000003 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.420000000000002 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 55.109999999999999 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 70.109999999999999 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 109.595 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 54.130000000000003 109.326 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 64.129999999999995 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.030000000000001 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 31.140000000000001 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.409999999999997 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 22' ' ' VAL . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.030000000000001 109.264 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 62.420000000000002 109.276 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.533 0.206 . . . . 73.129999999999995 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 62.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.150000000000006 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.210000000000001 109.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.587 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.010000000000005 109.345 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 43.299999999999997 109.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.340000000000003 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 61.439999999999998 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 51.030000000000001 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 43.240000000000002 109.259 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.495 0.188 . . . . 72.519999999999996 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.329999999999998 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 71.109999999999999 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 71.209999999999994 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.130000000000003 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 109.626 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 65.519999999999996 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.349999999999994 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.099999999999994 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 52.439999999999998 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.420000000000002 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 51.240000000000002 109.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ALA . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 54.109999999999999 109.344 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.508 0.194 . . . . 73.219999999999999 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 11.029999999999999 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 70.310000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 55.310000000000002 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 63.009999999999998 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.420000000000002 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.329999999999998 109.633 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.040000000000006 109.322 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.409999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.219999999999999 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 45.340000000000003 109.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 35.240000000000002 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 51.229999999999997 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.049999999999997 109.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 19' ' ' ILE . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 62.310000000000002 109.319 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.207 . . . . 65.109999999999999 111.038 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 71.109999999999999 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.329999999999998 110.009 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.792 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.219999999999999 109.563 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.439999999999998 109.306 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.439999999999998 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.319999999999993 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.409999999999997 109.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 65.150000000000006 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 60.329999999999998 109.249 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.541 0.21 . . . . 74.299999999999997 111.033 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.310000000000002 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.200000000000003 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.229999999999997 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 62.439999999999998 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 62.439999999999998 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 63.43 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 109.306 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 109.277 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.510000000000005 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 54.350000000000001 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 72.109999999999999 110.016 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 18' ' ' ALA . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 53.450000000000003 109.285 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.509 0.195 . . . . 75.209999999999994 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 42.409999999999997 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 64.230000000000004 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 63.420000000000002 109.598 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.109999999999999 109.297 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 54.310000000000002 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.439999999999998 110.023 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 18' ' ' ALA . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.099999999999994 109.304 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.474 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.548 0.213 . . . . 74.219999999999999 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 71.400000000000006 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 51.350000000000001 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.420000000000002 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 55.109999999999999 109.621 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.341 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 53.520000000000003 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.430000000000007 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.239999999999995 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 65.430000000000007 109.34 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.459 0.171 . . . . 61.340000000000003 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 40.130000000000003 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 70.140000000000001 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.239999999999995 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 71.209999999999994 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.109999999999999 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 72.519999999999996 109.594 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.120000000000005 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.509999999999998 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.109999999999999 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.319999999999993 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 16' ' ' VAL . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.140000000000001 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.140000000000001 109.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 19' ' ' ILE . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 55.409999999999997 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 64.019999999999996 109.322 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.519 0.199 . . . . 75.239999999999995 110.977 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.57 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 43.340000000000003 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 HH21 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.79 -32.03 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.51 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 71.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.62 14.19 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.023 -0.831 . . . . 62.149999999999999 111.023 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.49 9.55 9.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 111.042 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.17 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 52.149999999999999 109.267 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -169.26 34.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 53.130000000000003 111.033 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.42 -54.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 55.130000000000003 110.987 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HB2' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.7 -55.35 17.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 65.310000000000002 109.33 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 62.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.805 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.84 -33.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.25 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.25 -34.06 75.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.308 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.24 -43.18 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.400000000000006 109.607 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.65 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 71.140000000000001 109.327 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.42 -43.73 64.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 61.329999999999998 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.140000000000001 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -65.56 -34.71 78.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 75.150000000000006 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.84 -30.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 53.299999999999997 109.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.56 -20.23 12.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 24.23 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -72.14 -13.08 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 72.409999999999997 110.003 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG13 ' HB2' ' A' ' 26' ' ' ARG . 83.4 t -59.16 -33.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 45.219999999999999 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -17.36 61.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 75.420000000000002 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.48 17.82 18.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.979 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.33 -57.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 63.43 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.823 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.4 -39.12 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 70.219999999999999 110.298 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.62 -41.89 82.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 43.109999999999999 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -77.78 -17.01 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 71.400000000000006 109.325 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.981 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.23 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 73.099999999999994 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.35 -11.94 47.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 62.219999999999999 109.285 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.0 -11.18 21.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 65.109999999999999 109.979 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 28' ' ' ILE . 1.9 mm -99.68 -40.06 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 64.019999999999996 109.263 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.409999999999997 110.326 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.513 0.197 . . . . 74.120000000000005 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' ND2' ' N ' ' A' ' 3' ' ' ARG . 2.6 p-10 -141.47 -50.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 55.229999999999997 109.287 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -66.84 -15.89 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 63.240000000000002 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 -39.78 3.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 50.240000000000002 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.26 -29.96 6.49 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 64.409999999999997 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 26.8 p90 -79.84 -19.58 48.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 74.510000000000005 111.032 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.598 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.98 -153.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 109.308 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.94 35.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 73.400000000000006 110.971 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.7 -54.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 72.310000000000002 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.44 -55.22 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 72.230000000000004 109.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -32.97 53.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.015 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.2 -33.92 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.21 -34.1 75.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.16 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 72.099999999999994 109.62 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.89 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.230000000000004 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.41 -43.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 65.239999999999995 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.99 -26.37 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -71.7 -32.2 67.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 61.43 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.3 -27.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 63.109999999999999 109.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 -22.48 16.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.542 1.151 . . . . 52.439999999999998 111.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 25' ' ' ILE . 39.6 m -91.14 9.69 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 60.310000000000002 110.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.6 t -58.96 -33.36 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 60.109999999999999 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -17.14 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 41.119999999999997 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.7 15.61 29.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 72.099999999999994 111.011 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.34 -59.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 72.340000000000003 109.324 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.63 -20.55 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 110.293 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' HA2' ' CE ' ' A' ' 30' ' ' LYS . . . -85.66 -32.65 18.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 70.510000000000005 111.01 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.4 pt -82.04 -21.3 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.8 . . . . 74.209999999999994 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -51.54 63.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.420000000000002 109.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' CE ' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -61.62 -14.56 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 62.340000000000003 109.252 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.94 -21.06 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 109.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -44.75 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 65.209999999999994 109.279 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.049999999999997 110.327 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.53 0.205 . . . . 72.400000000000006 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.83 -49.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 71.120000000000005 109.262 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 4.4 mmm180 -92.68 -49.0 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 73.319999999999993 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.49 15.55 17.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 51.149999999999999 110.996 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -127.39 -0.49 6.81 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 62.130000000000003 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -158.12 -49.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 62.009999999999998 110.939 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -61.19 162.97 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.14 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 111.008 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.38 -50.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 71.310000000000002 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -55.21 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 73.540000000000006 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 t -53.57 -33.17 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.92 -33.92 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 63.43 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 73.349999999999994 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 65.239999999999995 109.593 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 53.539999999999999 109.297 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.01 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.329999999999998 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.2 -25.15 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 64.239999999999995 109.291 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.004 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -66.6 -29.47 69.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 71.439999999999998 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.18 -29.02 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 75.099999999999994 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.76 -16.45 21.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 74.329999999999998 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 25' ' ' ILE . 3.7 m -88.43 -8.61 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.746 . . . . 75.340000000000003 110.006 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 18' ' ' ALA . 38.7 t -58.48 -32.7 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 65.439999999999998 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -17.65 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 63.140000000000001 109.339 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.69 16.16 28.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 34.299999999999997 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.24 -59.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 74.150000000000006 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -38.74 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.25 110.314 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -69.17 -42.25 76.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 51.549999999999997 110.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.58 HD12 HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.81 -16.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 73.540000000000006 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.34 -31.28 70.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.109999999999999 109.273 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.818 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.32 -11.95 46.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 109.283 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.98 -11.2 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 64.329999999999998 109.996 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.66 -40.15 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 73.409999999999997 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 62.409999999999997 110.294 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.46 0.172 . . . . 65.549999999999997 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.46 -61.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 64.540000000000006 109.274 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.786 HH21 ' HZ1' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -91.17 -22.65 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.140000000000001 110.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CE2' ' A' ' 6' ' ' TYR . . . 89.41 -34.47 3.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 71.540000000000006 111.021 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 -23.14 9.66 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 51.140000000000001 110.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 35.4 p90 -80.17 -32.75 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 64.109999999999999 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 12.0 p30 42.46 -163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 165.21 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.230000000000004 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.41 -53.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 55.119999999999997 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.786 ' HZ1' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.73 -55.86 15.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 73.030000000000001 109.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 t -55.19 -33.38 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 71.219999999999999 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -61.44 -33.84 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 41.219999999999999 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -67.97 -34.07 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 110.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.15 -43.27 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.120000000000005 109.565 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.93 -34.56 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 t -53.64 -43.98 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -25.02 59.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 65.209999999999994 109.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.45 -24.18 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 70.349999999999994 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.6 mt -62.0 -24.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.2 -28.4 4.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 65.129999999999995 111.012 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.898 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -70.54 -34.56 72.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 75.209999999999994 110.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 18' ' ' ALA . 10.3 p -59.58 -31.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 51.240000000000002 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.55 -16.92 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 72.219999999999999 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.88 24.92 5.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 45.210000000000001 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 21' ' ' SER . 1.6 mt -141.66 -47.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 73.25 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' CD ' ' CG2' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.37 -49.79 70.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 72.150000000000006 110.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 43.310000000000002 111.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -78.03 -17.12 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 52.229999999999997 109.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.53 -31.49 70.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 53.329999999999998 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -11.01 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 74.540000000000006 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.12 -11.45 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 75.530000000000001 110.039 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 29' ' ' LEU . 1.3 mt -100.48 -41.25 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 55.350000000000001 109.295 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 63.25 110.303 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 54.2 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 75.129999999999995 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.62 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 65.019999999999996 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -32.2 72.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.200000000000003 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 99.38 -36.39 4.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 50.310000000000002 110.995 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.7 14.32 12.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 71.109999999999999 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -158.68 29.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 75.310000000000002 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 7' ' ' ASN . 0.1 OUTLIER -60.23 160.17 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.209999999999994 109.283 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.5 p90 -178.96 34.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 71.209999999999994 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.72 -49.34 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 72.319999999999993 111.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -56.17 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 74.040000000000006 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.455 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 30.0 t -54.81 -33.55 61.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.977 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -60.84 -33.94 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 109.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -68.0 -34.06 75.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 110.316 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -43.18 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.619 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.63 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 71.140000000000001 109.326 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.7 -41.97 58.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 62.420000000000002 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.44 -27.18 68.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -66.4 -32.5 73.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.450000000000003 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.8 mt -64.5 -24.63 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.239999999999995 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.63 -24.02 8.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.087 . . . . 41.210000000000001 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -80.36 -27.6 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 72.319999999999993 109.973 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.852 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.54 -33.32 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 62.43 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -16.84 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.140000000000001 109.294 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.57 20.83 8.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 65.030000000000001 111.03 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 21' ' ' SER . 1.2 mp -144.01 -52.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 64.439999999999998 109.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.852 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -70.46 -38.16 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 64.120000000000005 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.16 75.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 14.039999999999999 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -16.95 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 74.519999999999996 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.39 -31.2 70.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 109.283 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.815 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -11.93 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 75.120000000000005 109.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -11.2 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 63.32 109.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.64 -40.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 71.209999999999994 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 70.299999999999997 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.522 0.201 . . . . 74.340000000000003 111.006 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.56 -68.05 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 63.119999999999997 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -64.59 -33.83 76.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 71.430000000000007 110.277 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.67 -24.76 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.4 27.82 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 63.25 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.6 p90 -158.02 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 72.010000000000005 110.982 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -61.07 151.97 29.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.299999999999997 109.318 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 176.34 37.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 111.021 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.35 -50.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 44.43 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -55.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 51.409999999999997 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -33.23 57.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 72.420000000000002 109.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.07 -34.58 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.279 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 3.9 mmm180 -68.12 -33.73 75.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 72.140000000000001 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.98 -43.19 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 71.040000000000006 109.592 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.03 -34.75 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.430000000000007 109.269 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.87 -41.05 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 61.43 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.18 -25.31 64.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 71.200000000000003 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -69.06 -25.47 64.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 33.149999999999999 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' C ' HG12 ' A' ' 22' ' ' VAL . 9.6 mm -62.58 -29.68 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 51.229999999999997 109.301 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.73 -24.39 8.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 44.219999999999999 111.017 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.92 -20.66 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 75.129999999999995 110.037 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG23 ' CB ' ' A' ' 26' ' ' ARG . 2.0 p -58.06 -36.16 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.099999999999994 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.49 62.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 70.219999999999999 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.7 18.86 12.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 111.042 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -143.73 -56.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 25.039999999999999 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.825 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.59 -25.91 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.86 -33.05 34.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 52.43 111.034 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -17.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 70.120000000000005 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -61.13 -29.41 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 63.240000000000002 109.3 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.18 -12.33 55.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 63.109999999999999 109.306 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.05 -11.13 21.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 109.98 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.51 -40.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 74.530000000000001 110.29 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 71.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -63.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' ND2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -61.98 -57.46 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 74.450000000000003 110.322 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.06 -18.78 23.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 43.409999999999997 110.985 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.48 -34.34 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 43.240000000000002 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 10.9 p90 -79.9 -15.16 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 71.010000000000005 110.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.3 t-20 39.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 70.549999999999997 109.333 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.91 34.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.549999999999997 110.965 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.28 -54.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.574 1.171 . . . . 54.439999999999998 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CD ' ' ND2' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.53 -55.25 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 75.310000000000002 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -53.54 -33.01 53.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 75.109999999999999 110.041 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.19 -33.89 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.53 -33.26 73.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 110.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.05 -43.37 44.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.573 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -67.65 -37.11 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 54.039999999999999 109.304 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.6 t -54.06 -37.75 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.36 -23.58 65.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.298 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -83.78 -25.09 30.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.439999999999998 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -61.42 -33.78 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 62.409999999999997 109.332 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.51 -21.26 24.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 50.240000000000002 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 25' ' ' ILE . 4.4 t -83.09 5.49 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 65.310000000000002 110.014 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 18' ' ' ALA . 37.3 t -61.04 -32.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 71.040000000000006 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -17.69 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 44.439999999999998 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.81 15.74 31.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 51.030000000000001 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 21' ' ' SER . 1.4 mp -144.28 -59.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 63.229999999999997 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' CB ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -40.5 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 71.400000000000006 110.279 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.51 -42.16 82.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 65.319999999999993 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pt -77.89 -16.93 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 75.230000000000004 109.345 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.36 -31.62 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 63.329999999999998 109.295 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.788 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.15 -11.32 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 70.409999999999997 109.281 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.84 -11.83 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 72.510000000000005 109.983 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.64 -41.24 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 72.140000000000001 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.329999999999998 110.268 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.7 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.457 0.17 . . . . 75.519999999999996 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -174.18 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 55.140000000000001 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.3 OUTLIER -76.05 -16.73 59.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 73.200000000000003 110.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.35 -46.46 3.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 72.140000000000001 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.08 18.7 23.75 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 55.229999999999997 110.983 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.7 25.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 74.420000000000002 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 3' ' ' ARG . 79.4 m-20 -61.25 -175.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 60.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -169.32 34.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.25 110.974 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.05 -54.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 71.010000000000005 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -55.37 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.753 . . . . 74.140000000000001 109.277 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -33.09 54.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 74.25 110.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -62.75 -33.96 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.510000000000005 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.13 -32.87 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 62.409999999999997 110.263 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.99 -43.3 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.5 109.642 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.67 -33.95 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 61.539999999999999 109.29 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 t -53.5 -46.37 59.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.32 -25.02 67.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.030000000000001 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -64.61 -37.67 88.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -53.89 -29.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.28 -19.04 11.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 73.540000000000006 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.574 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -74.03 -11.52 60.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 71.219999999999999 109.99 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 26' ' ' ARG . 79.7 t -58.79 -35.01 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 53.32 109.28 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.81 -16.84 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.55 15.69 26.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 63.130000000000003 110.964 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HD13 ' A' ' 29' ' ' LEU . 1.3 mp -144.35 -59.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 75.340000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.791 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.42 -41.91 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 64.319999999999993 110.327 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.63 93.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 52.130000000000003 111.011 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.75 -17.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 71.209999999999994 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.34 -31.21 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 71.299999999999997 109.325 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -12.04 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 73.310000000000002 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -11.14 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 53.109999999999999 110.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 28' ' ' ILE . 1.9 mm -99.63 -40.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 73.319999999999993 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 72.230000000000004 110.328 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.5 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.467 0.175 . . . . 71.409999999999997 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' ND2' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -174.07 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 65.129999999999995 109.328 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -27.35 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.91 -37.12 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 71.129999999999995 110.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.15 29.13 2.87 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.042 -0.823 . . . . 64.030000000000001 111.042 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 13.5 p90 -157.97 -43.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 75.409999999999997 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER 39.99 -153.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 74.5 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.96 34.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 62.039999999999999 111.018 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.71 -54.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' CD ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -65.52 -55.25 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 51.420000000000002 109.28 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -32.95 53.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 75.239999999999995 110.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.815 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.22 -33.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 62.340000000000003 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -68.21 -34.08 75.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 110.239 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.23 -43.15 43.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 75.420000000000002 109.57 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -34.84 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 73.510000000000005 109.261 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.39 -42.26 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.259 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.95 -25.04 61.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -35.09 80.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.229999999999997 109.267 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -53.63 -30.28 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 65.140000000000001 109.306 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.74 -24.75 16.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 42.520000000000003 110.985 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.2 m -72.64 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 71.439999999999998 109.998 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 26' ' ' ARG . 72.0 t -57.22 -35.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 65.299999999999997 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.57 61.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.06 18.59 21.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 61.310000000000002 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.12 -57.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 71.450000000000003 109.326 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.639 ' HB2' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -67.08 -41.54 86.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 110.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.25 -41.44 91.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 75.349999999999994 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -16.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 54.43 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 ' NH1' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.29 -31.66 70.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 65.150000000000006 109.337 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -11.35 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -98.78 -11.84 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 110.0 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 -40.93 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 51.520000000000003 109.344 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 64.430000000000007 110.341 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 27.3 p90 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 72.219999999999999 111.0 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.64 -62.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.886 HH21 ' HD3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.42 -23.05 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.219999999999999 110.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 89.46 -34.49 3.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 110.959 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.32 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.961 -0.856 . . . . 65.530000000000001 110.961 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 9.6 p90 -79.84 -16.62 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 73.019999999999996 111.031 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.3 p30 43.62 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 71.209999999999994 109.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER 174.74 38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 73.540000000000006 110.987 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.17 -52.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 52.039999999999999 111.033 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.886 ' HD3' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.8 -55.38 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 61.340000000000003 109.247 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -53.62 -33.13 53.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 54.219999999999999 109.988 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.78 -34.02 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.209999999999994 109.258 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.27 -43.14 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 75.25 109.581 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.85 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.332 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.75 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.17 -25.86 65.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 70.5 109.27 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -64.88 -40.14 94.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 63.310000000000002 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.19 -22.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.209999999999994 109.329 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.88 -15.88 25.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 72.200000000000003 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -91.49 -20.26 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 72.439999999999998 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.2 -31.09 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 62.240000000000002 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.31 -15.92 62.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 62.020000000000003 109.249 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -112.79 -13.13 11.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 70.409999999999997 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -91.84 -36.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 71.430000000000007 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.922 ' HD2' HD13 ' A' ' 29' ' ' LEU . 6.6 tpt180 -70.67 -34.14 71.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.049999999999997 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.6 -39.71 67.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.463 1.102 . . . . 74.040000000000006 110.961 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' GLY . 6.6 pt -77.84 -17.0 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 73.040000000000006 109.312 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.922 HD13 ' HD2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -61.72 -26.82 68.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 71.349999999999994 109.301 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.86 -12.05 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 74.239999999999995 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -11.09 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 54.420000000000002 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mm -100.38 -40.9 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 110.329 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.473 0.178 . . . . 74.200000000000003 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -174.12 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 45.340000000000003 109.289 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.566 ' N ' HD22 ' A' ' 2' ' ' ASN . 0.0 OUTLIER -89.72 -28.6 19.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.219999999999999 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 -39.52 3.04 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.107 . . . . 40.340000000000003 111.002 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.49 -16.06 31.98 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.838 . . . . 73.340000000000003 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -82.51 9.55 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 65.319999999999993 110.993 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 20.2 p30 -60.23 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 63.409999999999997 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.21 40.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 74.409999999999997 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.2 -59.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 31.329999999999998 111.0 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -55.78 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 74.140000000000001 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 10.0 t -53.61 -33.04 53.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.8 -33.92 62.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 74.25 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.16 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.22 -43.13 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 109.598 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.96 -34.73 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.510000000000005 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.5 -42.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -71.49 -25.26 62.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.329999999999998 109.33 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.61 -34.24 70.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 71.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.9 mp -56.01 -25.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 65.540000000000006 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.5 -16.27 10.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 64.099999999999994 111.013 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.647 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.94 -17.47 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 65.439999999999998 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.853 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.8 p -59.27 -35.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 61.399999999999999 109.323 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -15.78 61.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.049999999999997 109.25 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.68 17.31 12.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 65.349999999999994 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -143.89 -55.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 72.420000000000002 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.853 ' HB2' HG23 ' A' ' 22' ' ' VAL . 3.7 tpt180 -71.59 -60.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 63.200000000000003 110.271 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -55.89 -34.91 62.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 71.409999999999997 111.025 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -17.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 72.140000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -63.62 -28.67 70.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.120000000000005 109.309 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.69 -12.45 53.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -10.92 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 41.399999999999999 109.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.49 -39.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.219999999999999 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 63.439999999999998 110.351 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.3 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.501 0.191 . . . . 71.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.59 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.299999999999997 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' NH2' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.81 -32.61 71.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 70.5 110.321 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.56 4.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 53.450000000000003 110.977 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.54 -37.89 2.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.998 -0.841 . . . . 52.340000000000003 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' ASN . 14.7 p90 -79.84 -20.74 45.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 74.040000000000006 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.59 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 14.4 p30 41.96 -162.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 60.219999999999999 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.3 OUTLIER -168.86 34.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 60.340000000000003 110.999 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.35 -52.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 44.420000000000002 110.993 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' NH2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.65 -55.08 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 109.268 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -53.71 -32.97 53.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 55.109999999999999 110.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.7 t -61.96 -35.35 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 70.109999999999999 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.13 -33.47 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -75.84 -43.27 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 109.595 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.01 -35.05 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 54.130000000000003 109.326 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.3 -43.72 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 64.129999999999995 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.13 -25.19 62.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -58.78 -38.6 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.030000000000001 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.22 -22.62 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.74 -19.22 6.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 31.140000000000001 110.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -79.75 -18.78 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 64.409999999999997 109.995 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.6 p -57.66 -36.62 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.030000000000001 109.264 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.51 62.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 62.420000000000002 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.77 16.93 16.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.399999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 75.129999999999995 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.52 -38.35 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 73.109999999999999 110.312 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.79 -41.7 82.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 53.100000000000001 110.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.637 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -77.89 -16.88 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 63.0 109.313 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -60.62 -30.73 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 70.530000000000001 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.27 -11.19 48.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 71.120000000000005 109.287 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -12.61 20.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.439999999999998 109.976 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 28' ' ' ILE . 1.2 mt -100.96 -32.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.400000000000006 109.269 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 73.209999999999994 110.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' HB3' ' CA ' ' A' ' 11' ' ' SER . 34.9 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 71.140000000000001 111.019 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.532 HD22 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -141.88 -66.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.239999999999995 109.309 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.752 ' HD2' ' HZ1' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -36.87 79.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.340000000000003 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' HA2' ' ND2' ' A' ' 7' ' ' ASN . . . 36.55 32.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 54.240000000000002 111.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' ARG . . . -112.93 -37.79 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.002 -0.839 . . . . 71.340000000000003 111.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -158.99 25.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 75.200000000000003 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' ND2' ' HA2' ' A' ' 4' ' ' GLY . 30.2 p30 -68.26 176.32 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 52.109999999999999 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.59 44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 73.129999999999995 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.82 -54.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 62.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.752 ' HZ1' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.32 -55.29 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 75.150000000000006 109.341 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.464 ' CA ' ' HB3' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -53.68 -33.0 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 63.210000000000001 109.971 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 t -63.13 -33.92 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.16 -34.18 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 110.312 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.19 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.587 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.62 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.010000000000005 109.345 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.06 -41.68 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.75 -25.14 61.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.44 -33.35 75.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.2 mt -62.39 -20.98 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 43.299999999999997 109.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.71 -19.63 8.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 70.340000000000003 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 t -89.67 -12.12 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 61.439999999999998 109.99 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -61.07 -30.99 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 51.030000000000001 109.284 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.37 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 43.240000000000002 109.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -112.28 -12.56 13.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 111.014 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 33.6 mt -92.04 -38.11 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 74.010000000000005 109.331 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -22.92 62.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 73.310000000000002 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . . . -81.17 -20.68 64.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 61.350000000000001 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -82.21 -28.3 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 0.74 . . . . 71.319999999999993 109.311 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -73.26 -42.97 61.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 61.329999999999998 109.332 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.61 -10.92 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 72.420000000000002 109.318 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.579 ' C ' HD13 ' A' ' 32' ' ' ILE . 46.7 t -83.71 -20.82 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.961 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -101.84 -45.43 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.273 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 63.039999999999999 110.315 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 1' ' ' PHE . 2.9 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.546 0.212 . . . . 75.099999999999994 110.98 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.37 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 72.019999999999996 109.317 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' NE ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.03 -12.84 60.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.288 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.62 -20.39 50.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 74.5 110.994 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.85 3.54 54.87 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 75.129999999999995 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -83.08 2.12 36.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 72.530000000000001 110.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' OD1' ' CB ' ' A' ' 3' ' ' ARG . 8.0 m-20 -59.26 154.06 17.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 72.140000000000001 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -169.23 30.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 72.519999999999996 111.014 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.34 -51.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 65.329999999999998 111.009 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -55.64 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 71.109999999999999 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -33.13 60.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 71.209999999999994 109.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.0 t -61.08 -34.23 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.130000000000003 109.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 4.0 mmm180 -68.11 -33.92 75.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 110.338 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' C ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.11 -43.09 44.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 109.626 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -68.08 -34.87 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 65.519999999999996 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.82 -44.24 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.349999999999994 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -25.54 62.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 74.099999999999994 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.21 -25.7 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -60.87 -29.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 52.439999999999998 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.33 -19.53 9.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 54.420000000000002 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -91.08 -11.69 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 51.240000000000002 109.993 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.593 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.6 -36.69 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.54 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 54.109999999999999 109.344 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.96 17.12 15.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 54.439999999999998 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.2 -56.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 55.509999999999998 109.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.593 ' CB ' HG23 ' A' ' 22' ' ' VAL . 2.1 tmt_? -70.48 -38.21 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.65 -41.71 82.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 63.229999999999997 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.444 HD12 HD11 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -77.77 -17.02 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 60.140000000000001 109.33 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -60.37 -31.22 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 44.240000000000002 109.284 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.41 -11.89 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.269 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -99.0 -11.22 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 53.329999999999998 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.61 -40.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 73.040000000000006 109.258 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 73.310000000000002 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.487 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 37.0 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 71.200000000000003 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -141.59 -47.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -64.76 -16.95 63.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 62.149999999999999 110.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 1' ' ' PHE . . . 90.45 -44.69 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.96 -11.13 57.37 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.011 -0.836 . . . . 62.329999999999998 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.47 ' CE2' ' HA3' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -85.25 -19.77 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 75.409999999999997 111.028 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 3' ' ' ARG . 8.3 p30 -59.76 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 60.340000000000003 109.268 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.96 42.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 73.219999999999999 111.015 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.37 -58.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 11.029999999999999 110.997 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -55.72 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 70.310000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 t -53.65 -33.04 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 55.310000000000002 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.835 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.83 -33.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 63.009999999999998 109.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 71.420000000000002 110.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' C ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.19 -43.18 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.329999999999998 109.633 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.97 -34.45 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 64.040000000000006 109.322 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.19 -43.62 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.409999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -25.09 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 74.219999999999999 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -59.21 -31.3 68.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 45.340000000000003 109.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.9 mp -56.41 -28.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 35.240000000000002 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.18 -26.69 9.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 51.229999999999997 111.031 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.732 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -75.72 -23.02 56.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 73.049999999999997 109.973 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.7 p -58.76 -37.95 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.321 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.76 -14.48 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 62.310000000000002 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' HD13 ' A' ' 28' ' ' ILE . . . -119.01 16.74 10.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 110.965 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 21' ' ' SER . 1.4 mp -143.9 -55.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 62.119999999999997 109.252 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.22 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.129999999999995 110.312 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -54.42 -34.89 55.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 60.329999999999998 111.006 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 24' ' ' GLY . 3.1 pt -78.74 -17.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 71.400000000000006 109.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -63.97 -27.78 69.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 109.271 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.55 -11.83 58.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.310000000000002 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.92 -11.74 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 64.349999999999994 109.975 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.58 -40.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 71.519999999999996 109.286 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 74.239999999999995 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.495 0.188 . . . . 63.340000000000003 111.018 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.08 -46.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.329999999999998 109.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 16.3 mmm-85 -86.38 -37.12 18.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 73.140000000000001 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 36.66 39.66 0.39 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.539999999999999 111.047 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.61 11.24 3.73 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 72.430000000000007 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 10.6 p90 -158.24 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 73.420000000000002 111.025 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -60.17 177.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 75.400000000000006 109.247 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -170.91 41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 65.109999999999999 111.038 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.18 -55.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.32 -55.38 18.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 71.109999999999999 109.285 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 7' ' ' ASN . 44.5 t -53.62 -33.02 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.329999999999998 110.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.792 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -63.11 -33.88 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 65.25 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.23 -34.1 75.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.16 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.219999999999999 109.563 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.92 -34.84 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.439999999999998 109.306 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.02 -41.46 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.439999999999998 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -71.88 -25.25 61.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -62.22 -29.17 70.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.27 -26.15 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 73.319999999999993 109.228 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.33 -22.99 5.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.961 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 25' ' ' ILE . 1.5 m -84.3 -6.46 59.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 73.409999999999997 109.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.8 -36.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 65.150000000000006 109.336 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.02 -16.08 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 60.329999999999998 109.249 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.89 16.75 15.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 111.011 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 mp -144.12 -56.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 64.219999999999999 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.45 -37.31 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 63.200000000000003 110.331 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -70.12 -41.63 69.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -16.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 73.140000000000001 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -60.35 -31.33 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.209999999999994 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.66 -11.62 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.230000000000004 109.329 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.12 -11.05 21.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.219999999999999 109.966 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.17 -40.5 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.329999999999998 109.254 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 10.0 mtm105 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 110.277 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 1' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.501 0.191 . . . . 70.200000000000003 111.011 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.934 ' ND2' HH21 ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.92 -46.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.149999999999999 109.283 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.934 HH21 ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -59.66 -31.13 69.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 110.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.01 33.21 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 43.340000000000003 111.048 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.26 -60.85 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 31.239999999999998 110.958 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -85.2 -20.38 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 74.140000000000001 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.7 m-80 -59.83 163.4 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 165.51 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 74.299999999999997 111.033 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.04 -51.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 73.310000000000002 110.983 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -55.19 18.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 75.200000000000003 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -53.62 -33.17 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.229999999999997 110.044 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.85 -33.93 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 62.439999999999998 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.12 75.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 62.439999999999998 110.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -43.13 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 63.43 109.603 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.98 -34.85 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 109.306 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.8 -39.36 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -25.03 60.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 109.281 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -60.19 -33.39 72.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 109.277 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 16' ' ' VAL . 1.8 mp -55.28 -22.16 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.510000000000005 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.49 -26.51 4.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 54.350000000000001 111.04 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.697 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -69.8 -29.28 66.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 72.109999999999999 110.016 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.862 HG23 ' HB2' ' A' ' 26' ' ' ARG . 2.9 p -58.46 -33.29 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 74.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.87 -16.96 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 53.450000000000003 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.87 21.05 8.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 71.540000000000006 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.02 -52.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 74.150000000000006 109.284 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.862 ' HB2' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -70.47 -39.35 74.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.295 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -67.12 -41.56 92.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.991 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.469 HD12 HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -77.8 -16.99 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 74.150000000000006 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -60.39 -31.22 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 109.275 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -65.38 -11.89 46.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 70.219999999999999 109.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.04 -11.15 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 50.409999999999997 110.001 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 28' ' ' ILE . 1.8 mm -99.67 -40.16 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 71.400000000000006 110.306 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.684 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 64.510000000000005 110.995 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -154.48 -45.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.319999999999993 109.329 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 3' ' ' ARG . 4.9 mmm180 -91.79 -38.55 12.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 63.009999999999998 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.17 24.03 1.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 52.229999999999997 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.98 -31.45 1.58 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 74.400000000000006 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 7' ' ' ASN . 12.2 p90 -158.05 -42.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 73.420000000000002 110.989 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 9.6 p30 40.34 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.540000000000006 109.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -169.27 33.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 75.209999999999994 111.032 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.36 -52.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 42.409999999999997 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HD2' ' H1 ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -65.7 -54.91 20.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 64.230000000000004 109.323 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -53.76 -33.18 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.97 -33.93 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -68.18 -34.12 75.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 110.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.25 -43.14 43.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 63.420000000000002 109.598 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.95 -34.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.109999999999999 109.297 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -53.92 -42.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.337 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.26 -25.4 61.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -63.37 -25.16 68.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -61.39 -30.4 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.38 -19.86 9.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 54.310000000000002 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -84.37 -17.13 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 75.439999999999998 110.023 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.61 -36.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.78 -16.51 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 64.099999999999994 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.83 16.99 15.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 45.539999999999999 111.001 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.14 -56.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 72.099999999999994 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' CB ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.49 -37.88 74.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.450000000000003 110.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -68.82 -41.37 83.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 62.409999999999997 111.01 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.56 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -77.9 -16.89 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 71.310000000000002 109.338 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.01 HD22 HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -60.47 -31.14 70.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 72.239999999999995 109.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.16 -11.19 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 t -99.22 -12.29 20.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 75.430000000000007 109.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.01 HD12 HD22 ' A' ' 29' ' ' LEU . 1.2 mt -100.3 -35.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.299999999999997 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 32' ' ' ILE . 11.7 ptt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 73.329999999999998 110.28 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' CD1' ' HA2' ' A' ' 4' ' ' GLY . 30.3 p90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.513 0.197 . . . . 73.329999999999998 111.012 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -141.36 -50.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.298 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -17.9 64.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 73.230000000000004 110.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 1' ' ' PHE . . . 87.71 -42.6 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 42.549999999999997 110.988 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.41 14.92 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.035 -0.826 . . . . 42.219999999999999 111.035 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -158.68 34.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 73.340000000000003 111.001 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -61.21 155.45 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 73.25 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 2.9 p90 -168.75 29.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 111.021 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -49.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.109 . . . . 71.400000000000006 110.98 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -56.01 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 51.350000000000001 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -33.51 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 64.420000000000002 110.006 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.0 t -61.31 -33.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -68.03 -34.11 75.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -76.13 -43.21 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 55.109999999999999 109.621 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.94 -34.71 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.341 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -54.47 -42.68 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 53.520000000000003 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' SER . 4.6 t70 -65.29 -26.17 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.25 109.303 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -67.38 -41.76 84.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 72.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 16' ' ' VAL . 3.4 mt -63.75 -24.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.349999999999994 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.58 -18.69 24.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 75.430000000000007 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASP . 7.1 t -94.65 8.61 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 75.239999999999995 110.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' ALA . 39.0 t -58.59 -30.88 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 73.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -19.06 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 65.430000000000007 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.14 19.75 14.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 111.04 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mt -142.92 -57.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 70.409999999999997 109.332 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.821 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.68 -27.21 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.303 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 30' ' ' LYS . . . -79.14 -33.07 37.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 71.25 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -17.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 75.219999999999999 109.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.821 HD23 ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 51.549999999999997 109.31 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -66.2 -12.16 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 74.150000000000006 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.43 -11.91 20.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 74.219999999999999 109.978 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ARG . 1.4 mm -100.8 -32.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.432 0.158 . . . . 74.140000000000001 111.051 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.617 HD22 ' N ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -174.31 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 75.420000000000002 109.29 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.924 HH21 ' CB ' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -65.53 -46.38 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 54.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' ARG . . . 37.76 30.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.995 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' C ' ' CD1' ' A' ' 6' ' ' TYR . . . -108.8 -24.33 6.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 63.340000000000003 110.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -157.99 -42.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 72.230000000000004 111.01 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.924 ' CB ' HH21 ' A' ' 3' ' ' ARG . 3.4 m120 -71.68 134.45 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 72.140000000000001 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -177.71 35.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 61.340000000000003 111.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.05 -50.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.508 1.13 . . . . 40.130000000000003 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -55.14 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 70.140000000000001 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -53.59 -33.22 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.239999999999995 109.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.8 t -62.81 -33.96 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 71.209999999999994 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -68.14 -34.17 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.109999999999999 110.295 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -76.18 -43.17 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 72.519999999999996 109.594 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.88 -34.95 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.120000000000005 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 t -55.52 -40.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.509999999999998 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.93 -24.95 60.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 73.109999999999999 109.298 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . -61.29 -31.9 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 65.319999999999993 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 16' ' ' VAL . 2.6 mt -63.6 -25.0 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.140000000000001 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.98 -20.71 12.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 110.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -88.17 -16.47 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 62.140000000000001 109.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.584 HG23 ' CB ' ' A' ' 26' ' ' ARG . 1.7 p -57.56 -36.71 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 55.409999999999997 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -16.61 62.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 64.019999999999996 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.97 17.15 15.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 21' ' ' SER . 1.3 mp -144.18 -56.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 74.129999999999995 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmt_? -70.47 -37.04 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 72.519999999999996 110.321 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.86 -41.09 73.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 72.010000000000005 111.053 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 pt -77.83 -16.98 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 71.349999999999994 109.336 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.36 -31.22 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.129999999999995 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -11.98 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.340000000000003 109.332 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -99.02 -11.07 21.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 110.036 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mm -99.71 -40.38 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 109.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.439999999999998 110.3 179.995 . . . . . . . . 1 1 . 1 stop_ save_