data_1vpc_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 1vpc _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 full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 122.093 0.949 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -139.23 97.74 3.36 Favored 'General case' 0 CA--C 1.587 2.389 0 N-CA-C 102.83 -3.026 . . . . 0.0 102.83 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -72.96 -21.86 60.79 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 109.541 -3.481 . . . . 0.0 119.399 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -64.77 -36.1 83.22 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.138 1.375 . . . . 0.0 114.623 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.42 77.39 Favored Glycine 0 CA--C 1.55 2.248 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -58.32 -47.43 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 C-N-CA 124.553 1.141 . . . . 0.0 113.286 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.81 -49.73 72.44 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.66 -34.28 64.83 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 171.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.47 -45.51 83.4 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.511 169.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 pt -71.25 -23.53 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.746 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -68.73 -37.54 79.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.776 1.626 . . . . 0.0 114.034 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.38 -42.55 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 CA-C-N 119.557 1.071 . . . . 0.0 111.918 169.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.74 -39.05 92.89 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -30.93 65.61 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.52 -45.73 85.96 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.21 -26.99 66.81 Favored 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.45 -49.1 17.48 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.63 1.972 . . . . 0.0 111.802 172.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -50.08 -47.58 53.57 Favored 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.762 1.225 . . . . 0.0 113.97 167.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.96 -47.16 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 126.225 1.81 . . . . 0.0 113.38 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -59.35 -39.03 81.89 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -70.11 -37.96 75.48 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -68.76 -48.98 62.35 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.9 mm -70.3 -43.72 78.23 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.689 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.72 -25.53 65.7 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.6 t -67.95 -46.11 72.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 119.612 1.706 . . . . 0.0 113.83 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -78.56 11.04 2.7 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 169.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . 0.254 56.5 t-80 -110.49 -72.4 0.72 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.64 1.176 . . . . 0.0 108.491 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.8 p -91.41 136.16 33.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.942 0.897 . . . . 0.0 110.805 169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 76.62 64.49 0.05 OUTLIER 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.985 1.314 . . . . 0.0 111.045 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.8 mt -95.69 -74.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.77 73.77 0.34 Allowed Glycine 0 CA--C 1.536 1.36 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.288 27.8 mm 63.36 71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.244 1.417 . . . . 0.0 109.274 -169.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.25 66.3 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 169.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -155.53 -59.24 0.1 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -86.97 -64.27 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -89.86 119.27 30.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -102.53 -72.82 0.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 169.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.0 t -113.9 -53.7 2.66 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -86.93 145.81 26.4 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.162 0.985 . . . . 0.0 109.913 169.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -82.08 116.52 21.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.958 -0.463 . . . . 0.0 111.026 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.73 -84.59 0.37 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.38 160.97 25.22 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.79 0.436 . . . . 0.0 111.757 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -60.17 -60.28 4.08 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 118.416 -0.802 . . . . 0.0 113.077 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -144.43 107.83 4.6 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 169.759 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 122.093 0.949 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -139.23 97.74 3.36 Favored 'General case' 0 CA--C 1.587 2.389 0 N-CA-C 102.83 -3.026 . . . . 0.0 102.83 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -72.96 -21.86 60.79 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 109.541 -3.481 . . . . 0.0 119.399 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -64.77 -36.1 83.22 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.138 1.375 . . . . 0.0 114.623 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.42 77.39 Favored Glycine 0 CA--C 1.55 2.248 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -58.32 -47.43 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 C-N-CA 124.553 1.141 . . . . 0.0 113.286 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.81 -49.73 72.44 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.66 -34.28 64.83 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 171.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.47 -45.51 83.4 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.511 169.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 pt -71.25 -23.53 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.746 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -68.73 -37.54 79.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.776 1.626 . . . . 0.0 114.034 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.38 -42.55 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 CA-C-N 119.557 1.071 . . . . 0.0 111.918 169.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.74 -39.05 92.89 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -30.93 65.61 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.52 -45.73 85.96 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.21 -26.99 66.81 Favored 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.45 -49.1 17.48 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.63 1.972 . . . . 0.0 111.802 172.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -50.08 -47.58 53.57 Favored 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.762 1.225 . . . . 0.0 113.97 167.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.96 -47.16 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 126.225 1.81 . . . . 0.0 113.38 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -59.35 -39.03 81.89 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -70.11 -37.96 75.48 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -68.76 -48.98 62.35 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.9 mm -70.3 -43.72 78.23 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.689 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.72 -25.53 65.7 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.6 t -67.95 -46.11 72.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 119.612 1.706 . . . . 0.0 113.83 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -78.56 11.04 2.7 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 169.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . 0.254 56.5 t-80 -110.49 -72.4 0.72 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.64 1.176 . . . . 0.0 108.491 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.8 p -91.41 136.16 33.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.942 0.897 . . . . 0.0 110.805 169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 76.62 64.49 0.05 OUTLIER 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.985 1.314 . . . . 0.0 111.045 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.8 mt -95.69 -74.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.77 73.77 0.34 Allowed Glycine 0 CA--C 1.536 1.36 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.288 27.8 mm 63.36 71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.244 1.417 . . . . 0.0 109.274 -169.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.25 66.3 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 169.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -155.53 -59.24 0.1 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -86.97 -64.27 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -89.86 119.27 30.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -102.53 -72.82 0.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 169.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.0 t -113.9 -53.7 2.66 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -86.93 145.81 26.4 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.162 0.985 . . . . 0.0 109.913 169.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -82.08 116.52 21.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.958 -0.463 . . . . 0.0 111.026 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.73 -84.59 0.37 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.38 160.97 25.22 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.79 0.436 . . . . 0.0 111.757 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -60.17 -60.28 4.08 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 118.416 -0.802 . . . . 0.0 113.077 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -144.43 107.83 4.6 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 169.759 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 122.093 0.949 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -139.23 97.74 3.36 Favored 'General case' 0 CA--C 1.587 2.389 0 N-CA-C 102.83 -3.026 . . . . 0.0 102.83 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -72.96 -21.86 60.79 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 109.541 -3.481 . . . . 0.0 119.399 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -64.77 -36.1 83.22 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.138 1.375 . . . . 0.0 114.623 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.42 77.39 Favored Glycine 0 CA--C 1.55 2.248 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -58.32 -47.43 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 C-N-CA 124.553 1.141 . . . . 0.0 113.286 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.81 -49.73 72.44 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.66 -34.28 64.83 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 171.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.47 -45.51 83.4 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.511 169.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 pt -71.25 -23.53 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.746 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -68.73 -37.54 79.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.776 1.626 . . . . 0.0 114.034 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.38 -42.55 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 CA-C-N 119.557 1.071 . . . . 0.0 111.918 169.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.74 -39.05 92.89 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -30.93 65.61 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.52 -45.73 85.96 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.21 -26.99 66.81 Favored 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.45 -49.1 17.48 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.63 1.972 . . . . 0.0 111.802 172.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -50.08 -47.58 53.57 Favored 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.762 1.225 . . . . 0.0 113.97 167.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.96 -47.16 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 126.225 1.81 . . . . 0.0 113.38 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -59.35 -39.03 81.89 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -70.11 -37.96 75.48 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -68.76 -48.98 62.35 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.9 mm -70.3 -43.72 78.23 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.689 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.72 -25.53 65.7 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.6 t -67.95 -46.11 72.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 119.612 1.706 . . . . 0.0 113.83 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -78.56 11.04 2.7 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 169.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . 0.254 56.5 t-80 -110.49 -72.4 0.72 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.64 1.176 . . . . 0.0 108.491 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.8 p -91.41 136.16 33.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.942 0.897 . . . . 0.0 110.805 169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 76.62 64.49 0.05 OUTLIER 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.985 1.314 . . . . 0.0 111.045 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.8 mt -95.69 -74.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.77 73.77 0.34 Allowed Glycine 0 CA--C 1.536 1.36 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.288 27.8 mm 63.36 71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.244 1.417 . . . . 0.0 109.274 -169.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.25 66.3 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 169.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -155.53 -59.24 0.1 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -86.97 -64.27 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -89.86 119.27 30.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -102.53 -72.82 0.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 169.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.0 t -113.9 -53.7 2.66 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -86.93 145.81 26.4 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.162 0.985 . . . . 0.0 109.913 169.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -82.08 116.52 21.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.958 -0.463 . . . . 0.0 111.026 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.73 -84.59 0.37 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.38 160.97 25.22 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.79 0.436 . . . . 0.0 111.757 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -60.17 -60.28 4.08 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 118.416 -0.802 . . . . 0.0 113.077 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -144.43 107.83 4.6 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 169.759 . . . . . . . . 0 0 . 1 stop_ save_