data_1dfs_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 1dfs _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 2 N--CA 1.619 8.015 0 N-CA-C 114.301 1.222 . . . . 6.97 114.301 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -119.0 -92.99 0.53 Allowed 'General case' 3 N--CA 1.625 8.278 0 CA-C-O 115.866 -2.016 . . . . 3.33 111.791 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -145.51 -45.26 0.21 Allowed 'General case' 3 N--CA 1.641 9.083 0 CA-C-N 124.065 3.121 . . . . 1.26 116.87 -175.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -106.61 154.61 20.66 Favored 'General case' 3 N--CA 1.616 7.857 0 N-CA-C 116.748 2.129 . . . . 2.18 116.748 -170.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -100.62 -7.67 23.73 Favored 'General case' 3 N--CA 1.633 8.683 0 C-N-CA 127.2 2.2 . . . . 1.55 109.308 167.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.79 -36.02 18.8 Favored 'General case' 3 N--CA 1.638 8.955 0 C-N-CA 130.135 3.374 . . . . 1.35 111.311 174.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.76 160.64 27.38 Favored Pre-proline 3 N--CA 1.614 7.768 0 C-N-CA 128.316 2.646 . . . . 0.9 110.505 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.59 38.59 0.64 Allowed 'Trans proline' 3 CA--C 1.694 8.494 0 C-N-CA 122.783 2.322 . . . . 0.88 114.88 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.316 40.7 t 70.59 -64.17 0.23 Allowed 'Isoleucine or valine' 3 N--CA 1.651 9.604 0 C-N-CA 129.404 3.082 . . . . 2.2 110.417 179.804 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.07 32.8 1.5 Allowed Glycine 3 CA--C 1.656 8.883 0 C-N-CA 128.353 2.882 . . . . 1.03 117.042 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 171.01 0.02 OUTLIER 'General case' 3 N--CA 1.668 10.462 0 C-N-CA 129.553 3.141 . . . . 0.94 114.62 177.073 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 m -101.84 -33.37 9.82 Favored 'General case' 2 N--CA 1.626 8.348 0 C-N-CA 128.287 2.635 . . . . 1.05 111.724 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.1 -43.92 10.71 Favored 'General case' 3 N--CA 1.613 7.717 0 C-N-CA 128.828 2.851 . . . . 2.83 109.031 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.55 9.38 13.75 Favored 'General case' 3 N--CA 1.61 7.534 0 C-N-CA 128.717 2.807 . . . . 0.9 112.435 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.35 75.52 Favored 'General case' 3 N--CA 1.655 9.779 0 CA-C-N 122.578 2.445 . . . . 1.15 116.448 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -120.91 -42.76 2.49 Favored 'General case' 2 N--CA 1.631 8.598 0 C-N-CA 128.565 2.746 . . . . 3.89 110.936 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.3 124.82 3.83 Favored Glycine 3 N--CA 1.602 9.748 0 C-N-CA 127.124 2.297 . . . . 1.73 112.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.21 138.73 58.59 Favored 'General case' 3 N--CA 1.645 9.291 0 CA-C-N 120.759 2.279 . . . . 0.98 112.234 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -106.35 -24.12 4.17 Favored 'Isoleucine or valine' 2 N--CA 1.627 8.377 0 C-N-CA 130.812 3.645 . . . . 1.49 111.176 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.21 129.15 38.83 Favored 'General case' 3 N--CA 1.62 8.073 0 C-N-CA 129.507 3.123 . . . . 0.92 113.885 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.12 -32.12 11.77 Favored 'General case' 3 N--CA 1.636 8.839 0 C-N-CA 128.001 2.52 . . . . 3.71 110.18 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -49.77 35.58 Favored Glycine 3 N--CA 1.618 10.771 0 C-N-CA 128.147 2.784 . . . . 1.94 108.777 171.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.73 -48.03 0.68 Allowed 'General case' 3 N--CA 1.628 8.464 0 C-N-CA 130.337 3.455 . . . . 3.19 119.162 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.18 5.4 19.98 Favored 'General case' 3 N--CA 1.646 9.353 0 CA-C-N 123.153 2.706 . . . . 2.63 118.218 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -135.9 -64.83 0.61 Allowed 'General case' 3 N--CA 1.642 9.166 0 CA-C-N 123.598 2.908 . . . . 1.88 111.288 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -149.92 142.19 24.17 Favored 'General case' 3 N--CA 1.644 9.234 0 C-N-CA 127.818 2.447 . . . . 2.66 114.716 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.11 156.92 30.05 Favored 'General case' 3 N--CA 1.624 8.237 0 C-N-CA 126.253 1.821 . . . . 1.15 115.616 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.253 72.8 p -114.93 30.07 7.6 Favored 'General case' 3 N--CA 1.625 8.292 0 C-N-CA 127.251 2.221 . . . . 1.62 109.311 172.293 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 p -123.18 -27.52 4.15 Favored 'General case' 3 N--CA 1.637 8.917 0 C-N-CA 128.171 2.588 . . . . 1.22 115.912 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.33 29.12 7.44 Favored 'General case' 3 N--CA 1.61 7.56 0 C-N-CA 126.658 1.983 . . . . 0.98 111.017 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 3 N--CA 1.622 8.171 0 C-N-CA 127.117 2.167 . . . . 2.23 112.774 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 2 N--CA 1.619 8.015 0 N-CA-C 114.301 1.222 . . . . 6.55 114.301 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -119.0 -92.99 0.53 Allowed 'General case' 3 N--CA 1.625 8.278 0 CA-C-O 115.866 -2.016 . . . . 2.9 111.791 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -145.51 -45.26 0.21 Allowed 'General case' 3 N--CA 1.641 9.083 0 CA-C-N 124.065 3.121 . . . . 1.07 116.87 -175.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -106.61 154.61 20.66 Favored 'General case' 3 N--CA 1.616 7.857 0 N-CA-C 116.748 2.129 . . . . 1.37 116.748 -170.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -100.62 -7.67 23.73 Favored 'General case' 3 N--CA 1.633 8.683 0 C-N-CA 127.2 2.2 . . . . 1.25 109.308 167.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.79 -36.02 18.8 Favored 'General case' 3 N--CA 1.638 8.955 0 C-N-CA 130.135 3.374 . . . . 0.82 111.311 174.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.76 160.64 27.38 Favored Pre-proline 3 N--CA 1.614 7.768 0 C-N-CA 128.316 2.646 . . . . 0.56 110.505 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.59 38.59 0.64 Allowed 'Trans proline' 3 CA--C 1.694 8.494 0 C-N-CA 122.783 2.322 . . . . 0.73 114.88 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.316 40.7 t 70.59 -64.17 0.23 Allowed 'Isoleucine or valine' 3 N--CA 1.651 9.604 0 C-N-CA 129.404 3.082 . . . . 1.53 110.417 179.804 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.07 32.8 1.5 Allowed Glycine 3 CA--C 1.656 8.883 0 C-N-CA 128.353 2.882 . . . . 1.03 117.042 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 171.01 0.02 OUTLIER 'General case' 3 N--CA 1.668 10.462 0 C-N-CA 129.553 3.141 . . . . 0.36 114.62 177.073 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 m -101.84 -33.37 9.82 Favored 'General case' 2 N--CA 1.626 8.348 0 C-N-CA 128.287 2.635 . . . . 0.56 111.724 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.1 -43.92 10.71 Favored 'General case' 3 N--CA 1.613 7.717 0 C-N-CA 128.828 2.851 . . . . 2.44 109.031 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.55 9.38 13.75 Favored 'General case' 3 N--CA 1.61 7.534 0 C-N-CA 128.717 2.807 . . . . 0.42 112.435 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.35 75.52 Favored 'General case' 3 N--CA 1.655 9.779 0 CA-C-N 122.578 2.445 . . . . 0.63 116.448 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -120.91 -42.76 2.49 Favored 'General case' 2 N--CA 1.631 8.598 0 C-N-CA 128.565 2.746 . . . . 3.19 110.936 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.3 124.82 3.83 Favored Glycine 3 N--CA 1.602 9.748 0 C-N-CA 127.124 2.297 . . . . 1.73 112.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.21 138.73 58.59 Favored 'General case' 3 N--CA 1.645 9.291 0 CA-C-N 120.759 2.279 . . . . 0.36 112.234 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -106.35 -24.12 4.17 Favored 'Isoleucine or valine' 2 N--CA 1.627 8.377 0 C-N-CA 130.812 3.645 . . . . 0.85 111.176 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.21 129.15 38.83 Favored 'General case' 3 N--CA 1.62 8.073 0 C-N-CA 129.507 3.123 . . . . 0.57 113.885 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.12 -32.12 11.77 Favored 'General case' 3 N--CA 1.636 8.839 0 C-N-CA 128.001 2.52 . . . . 3.33 110.18 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -49.77 35.58 Favored Glycine 3 N--CA 1.618 10.771 0 C-N-CA 128.147 2.784 . . . . 1.94 108.777 171.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.73 -48.03 0.68 Allowed 'General case' 3 N--CA 1.628 8.464 0 C-N-CA 130.337 3.455 . . . . 2.7 119.162 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.18 5.4 19.98 Favored 'General case' 3 N--CA 1.646 9.353 0 CA-C-N 123.153 2.706 . . . . 2.17 118.218 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -135.9 -64.83 0.61 Allowed 'General case' 3 N--CA 1.642 9.166 0 CA-C-N 123.598 2.908 . . . . 1.88 111.288 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -149.92 142.19 24.17 Favored 'General case' 3 N--CA 1.644 9.234 0 C-N-CA 127.818 2.447 . . . . 2.18 114.716 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.11 156.92 30.05 Favored 'General case' 3 N--CA 1.624 8.237 0 C-N-CA 126.253 1.821 . . . . 0.76 115.616 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.253 72.8 p -114.93 30.07 7.6 Favored 'General case' 3 N--CA 1.625 8.292 0 C-N-CA 127.251 2.221 . . . . 1.02 109.311 172.293 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 p -123.18 -27.52 4.15 Favored 'General case' 3 N--CA 1.637 8.917 0 C-N-CA 128.171 2.588 . . . . 0.83 115.912 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.33 29.12 7.44 Favored 'General case' 3 N--CA 1.61 7.56 0 C-N-CA 126.658 1.983 . . . . 0.56 111.017 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 3 N--CA 1.622 8.171 0 C-N-CA 127.117 2.167 . . . . 2.23 112.774 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 2 N--CA 1.619 8.015 0 N-CA-C 114.301 1.222 . . . . 6.55 114.301 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -119.0 -92.99 0.53 Allowed 'General case' 3 N--CA 1.625 8.278 0 CA-C-O 115.866 -2.016 . . . . 2.9 111.791 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -145.51 -45.26 0.21 Allowed 'General case' 3 N--CA 1.641 9.083 0 CA-C-N 124.065 3.121 . . . . 1.07 116.87 -175.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -106.61 154.61 20.66 Favored 'General case' 3 N--CA 1.616 7.857 0 N-CA-C 116.748 2.129 . . . . 1.37 116.748 -170.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -100.62 -7.67 23.73 Favored 'General case' 3 N--CA 1.633 8.683 0 C-N-CA 127.2 2.2 . . . . 1.25 109.308 167.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.79 -36.02 18.8 Favored 'General case' 3 N--CA 1.638 8.955 0 C-N-CA 130.135 3.374 . . . . 0.82 111.311 174.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.76 160.64 27.38 Favored Pre-proline 3 N--CA 1.614 7.768 0 C-N-CA 128.316 2.646 . . . . 0.56 110.505 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.59 38.59 0.64 Allowed 'Trans proline' 3 CA--C 1.694 8.494 0 C-N-CA 122.783 2.322 . . . . 0.73 114.88 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.316 40.7 t 70.59 -64.17 0.23 Allowed 'Isoleucine or valine' 3 N--CA 1.651 9.604 0 C-N-CA 129.404 3.082 . . . . 1.53 110.417 179.804 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.07 32.8 1.5 Allowed Glycine 3 CA--C 1.656 8.883 0 C-N-CA 128.353 2.882 . . . . 1.03 117.042 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 171.01 0.02 OUTLIER 'General case' 3 N--CA 1.668 10.462 0 C-N-CA 129.553 3.141 . . . . 0.36 114.62 177.073 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 m -101.84 -33.37 9.82 Favored 'General case' 2 N--CA 1.626 8.348 0 C-N-CA 128.287 2.635 . . . . 0.56 111.724 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.1 -43.92 10.71 Favored 'General case' 3 N--CA 1.613 7.717 0 C-N-CA 128.828 2.851 . . . . 2.44 109.031 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.55 9.38 13.75 Favored 'General case' 3 N--CA 1.61 7.534 0 C-N-CA 128.717 2.807 . . . . 0.42 112.435 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.35 75.52 Favored 'General case' 3 N--CA 1.655 9.779 0 CA-C-N 122.578 2.445 . . . . 0.63 116.448 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -120.91 -42.76 2.49 Favored 'General case' 2 N--CA 1.631 8.598 0 C-N-CA 128.565 2.746 . . . . 3.19 110.936 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.3 124.82 3.83 Favored Glycine 3 N--CA 1.602 9.748 0 C-N-CA 127.124 2.297 . . . . 1.73 112.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.21 138.73 58.59 Favored 'General case' 3 N--CA 1.645 9.291 0 CA-C-N 120.759 2.279 . . . . 0.36 112.234 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -106.35 -24.12 4.17 Favored 'Isoleucine or valine' 2 N--CA 1.627 8.377 0 C-N-CA 130.812 3.645 . . . . 0.85 111.176 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.21 129.15 38.83 Favored 'General case' 3 N--CA 1.62 8.073 0 C-N-CA 129.507 3.123 . . . . 0.57 113.885 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.12 -32.12 11.77 Favored 'General case' 3 N--CA 1.636 8.839 0 C-N-CA 128.001 2.52 . . . . 3.33 110.18 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -49.77 35.58 Favored Glycine 3 N--CA 1.618 10.771 0 C-N-CA 128.147 2.784 . . . . 1.94 108.777 171.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.73 -48.03 0.68 Allowed 'General case' 3 N--CA 1.628 8.464 0 C-N-CA 130.337 3.455 . . . . 2.7 119.162 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.18 5.4 19.98 Favored 'General case' 3 N--CA 1.646 9.353 0 CA-C-N 123.153 2.706 . . . . 2.17 118.218 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -135.9 -64.83 0.61 Allowed 'General case' 3 N--CA 1.642 9.166 0 CA-C-N 123.598 2.908 . . . . 1.88 111.288 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -149.92 142.19 24.17 Favored 'General case' 3 N--CA 1.644 9.234 0 C-N-CA 127.818 2.447 . . . . 2.18 114.716 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.11 156.92 30.05 Favored 'General case' 3 N--CA 1.624 8.237 0 C-N-CA 126.253 1.821 . . . . 0.76 115.616 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.253 72.8 p -114.93 30.07 7.6 Favored 'General case' 3 N--CA 1.625 8.292 0 C-N-CA 127.251 2.221 . . . . 1.02 109.311 172.293 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 p -123.18 -27.52 4.15 Favored 'General case' 3 N--CA 1.637 8.917 0 C-N-CA 128.171 2.588 . . . . 0.83 115.912 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.33 29.12 7.44 Favored 'General case' 3 N--CA 1.61 7.56 0 C-N-CA 126.658 1.983 . . . . 0.56 111.017 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 3 N--CA 1.622 8.171 0 C-N-CA 127.117 2.167 . . . . 2.23 112.774 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_