data_1k18_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 1k18 _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' ' ' ILE . . . . . . . . . . . . 0.29 7.7 mt . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.581 0.956 . . . . 30.0 113.581 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.425 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . 15.2 m -74.22 77.7 1.8 Allowed 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 118.563 2.801 . . . . 30.0 118.563 -163.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -90.39 123.92 34.51 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 30.0 109.325 156.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.4 3.53 0.02 OUTLIER Pre-proline 0 N--CA 1.504 2.234 1 N-CA-C 127.829 6.233 . . . . 30.0 127.829 -151.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.59 -21.66 72.55 Favored 'Trans proline' 0 CA--C 1.578 2.7 0 CA-C-N 127.189 3.603 . . . . 30.0 117.221 138.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.1 m -69.73 -54.96 11.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.055 . . . . 30.0 111.841 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 2' ' ' CYS 0.26 0.7 OUTLIER -49.47 -28.22 5.1 Favored 'General case' 0 N--CA 1.486 1.333 1 N-CA-C 124.916 5.154 . . . . 30.0 124.916 162.106 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.252 59.2 ttt85 -60.85 -55.43 33.13 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.252 1.575 . . . . 30.0 115.252 154.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -50.73 -39.57 52.17 Favored 'General case' 0 CA--C 1.583 2.217 0 N-CA-C 117.104 2.261 . . . . 30.0 117.104 160.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.664 63.9 mtt-85 -76.84 -22.79 53.02 Favored 'General case' 0 N--CA 1.493 1.691 1 N-CA-C 124.007 4.817 . . . . 30.0 124.007 167.061 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 43.1 m -71.53 -40.45 70.06 Favored 'General case' 0 CA--C 1.575 1.914 0 CA-C-O 125.472 2.558 . . . . 30.0 112.137 159.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -44.96 -45.31 10.45 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 120.467 3.506 . . . . 30.0 120.467 149.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . 0.563 90.3 m-70 -63.73 -23.37 67.34 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 120.806 3.632 . . . . 30.0 120.806 152.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 11' ' ' THR 0.575 27.8 tp -49.43 -54.38 30.86 Favored Pre-proline 0 C--N 1.302 -1.494 0 N-CA-C 121.157 3.762 . . . . 30.0 121.157 152.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -66.39 20.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.971 1 N-CA-C 127.206 5.81 . . . . 30.0 127.206 142.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.93 69.99 6.4 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.399 -1.273 . . . . 30.0 113.641 129.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -83.17 65.69 8.35 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 117.113 2.264 . . . . 30.0 117.113 -175.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -53.63 -47.36 70.37 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.436 2.013 . . . . 30.0 116.436 118.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m -73.97 139.34 44.77 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 115.464 1.653 . . . . 30.0 115.464 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -113.71 89.41 3.08 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.288 -1.375 . . . . 30.0 107.288 134.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 32.7 p 56.47 47.98 17.71 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.067 2.247 . . . . 30.0 117.067 -167.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.62 71.25 0.49 Allowed Glycine 0 CA--C 1.555 2.574 0 CA-C-O 116.557 -2.246 . . . . 30.0 116.345 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -113.27 69.97 0.16 OUTLIER 'Cis proline' 0 CA--C 1.577 2.626 0 CA-C-N 123.384 3.592 . . . . 30.0 114.604 0.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 mt -127.24 134.87 50.03 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.147 -1.596 . . . . 30.0 114.886 -162.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' ' 28' ' ' CYS . 5.1 t -129.24 90.67 44.18 Favored Pre-proline 0 CA--C 1.594 2.647 0 O-C-N 117.324 -3.36 . . . . 30.0 119.064 -56.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.25 123.84 0.74 Allowed 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 125.92 3.15 . . . . 30.0 117.154 16.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.4 47.03 2.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 118.505 -2.622 . . . . 30.0 116.482 62.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.676 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 22.1 p -60.78 109.57 1.09 Allowed 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 118.066 2.617 . . . . 30.0 118.066 -170.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -86.17 60.15 6.06 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 122.304 1.049 . . . . 30.0 112.545 165.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 109.11 5.51 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.017 1.327 . . . . 30.0 109.02 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 115.6 1.704 . . . . 30.0 115.6 -178.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.29 7.7 mt . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.581 0.956 . . . . 30.0 113.581 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.2 m -74.22 77.7 1.8 Allowed 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 118.563 2.801 . . . . 30.0 118.563 -163.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -90.39 123.92 34.51 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 30.0 109.325 156.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.4 3.53 0.02 OUTLIER Pre-proline 0 N--CA 1.504 2.234 1 N-CA-C 127.829 6.233 . . . . 30.0 127.829 -151.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.59 -21.66 72.55 Favored 'Trans proline' 0 CA--C 1.578 2.7 0 CA-C-N 127.189 3.603 . . . . 30.0 117.221 138.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.1 m -69.73 -54.96 11.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.055 . . . . 30.0 111.841 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.26 0.7 OUTLIER -49.47 -28.22 5.1 Favored 'General case' 0 N--CA 1.486 1.333 1 N-CA-C 124.916 5.154 . . . . 30.0 124.916 162.106 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.252 59.2 ttt85 -60.85 -55.43 33.13 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.252 1.575 . . . . 30.0 115.252 154.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -50.73 -39.57 52.17 Favored 'General case' 0 CA--C 1.583 2.217 0 N-CA-C 117.104 2.261 . . . . 30.0 117.104 160.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.664 63.9 mtt-85 -76.84 -22.79 53.02 Favored 'General case' 0 N--CA 1.493 1.691 1 N-CA-C 124.007 4.817 . . . . 30.0 124.007 167.061 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 43.1 m -71.53 -40.45 70.06 Favored 'General case' 0 CA--C 1.575 1.914 0 CA-C-O 125.472 2.558 . . . . 30.0 112.137 159.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -44.96 -45.31 10.45 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 120.467 3.506 . . . . 30.0 120.467 149.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . 0.563 90.3 m-70 -63.73 -23.37 67.34 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 120.806 3.632 . . . . 30.0 120.806 152.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' THR 0.575 27.8 tp -49.43 -54.38 30.86 Favored Pre-proline 0 C--N 1.302 -1.494 0 N-CA-C 121.157 3.762 . . . . 30.0 121.157 152.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -66.39 20.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.971 1 N-CA-C 127.206 5.81 . . . . 30.0 127.206 142.237 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.93 69.99 6.4 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.399 -1.273 . . . . 30.0 113.641 129.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -83.17 65.69 8.35 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 117.113 2.264 . . . . 30.0 117.113 -175.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -53.63 -47.36 70.37 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.436 2.013 . . . . 30.0 116.436 118.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m -73.97 139.34 44.77 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 115.464 1.653 . . . . 30.0 115.464 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -113.71 89.41 3.08 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.288 -1.375 . . . . 30.0 107.288 134.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 32.7 p 56.47 47.98 17.71 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.067 2.247 . . . . 30.0 117.067 -167.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.62 71.25 0.49 Allowed Glycine 0 CA--C 1.555 2.574 0 CA-C-O 116.557 -2.246 . . . . 30.0 116.345 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -113.27 69.97 0.16 OUTLIER 'Cis proline' 0 CA--C 1.577 2.626 0 CA-C-N 123.384 3.592 . . . . 30.0 114.604 0.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 mt -127.24 134.87 50.03 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.147 -1.596 . . . . 30.0 114.886 -162.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 28' ' ' CYS . 5.1 t -129.24 90.67 44.18 Favored Pre-proline 0 CA--C 1.594 2.647 0 O-C-N 117.324 -3.36 . . . . 30.0 119.064 -56.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.25 123.84 0.74 Allowed 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 125.92 3.15 . . . . 30.0 117.154 16.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.4 47.03 2.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 118.505 -2.622 . . . . 30.0 116.482 62.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 22.1 p -60.78 109.57 1.09 Allowed 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 118.066 2.617 . . . . 30.0 118.066 -170.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -86.17 60.15 6.06 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 122.304 1.049 . . . . 30.0 112.545 165.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 109.11 5.51 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.017 1.327 . . . . 30.0 109.02 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 115.6 1.704 . . . . 30.0 115.6 -178.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.29 7.7 mt . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.581 0.956 . . . . 30.0 113.581 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.2 m -74.22 77.7 1.8 Allowed 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 118.563 2.801 . . . . 30.0 118.563 -163.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -90.39 123.92 34.51 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 30.0 109.325 156.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.4 3.53 0.02 OUTLIER Pre-proline 0 N--CA 1.504 2.234 1 N-CA-C 127.829 6.233 . . . . 30.0 127.829 -151.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.59 -21.66 72.55 Favored 'Trans proline' 0 CA--C 1.578 2.7 0 CA-C-N 127.189 3.603 . . . . 30.0 117.221 138.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.1 m -69.73 -54.96 11.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.055 . . . . 30.0 111.841 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.26 0.7 OUTLIER -49.47 -28.22 5.1 Favored 'General case' 0 N--CA 1.486 1.333 1 N-CA-C 124.916 5.154 . . . . 30.0 124.916 162.106 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.252 59.2 ttt85 -60.85 -55.43 33.13 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.252 1.575 . . . . 30.0 115.252 154.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -50.73 -39.57 52.17 Favored 'General case' 0 CA--C 1.583 2.217 0 N-CA-C 117.104 2.261 . . . . 30.0 117.104 160.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.664 63.9 mtt-85 -76.84 -22.79 53.02 Favored 'General case' 0 N--CA 1.493 1.691 1 N-CA-C 124.007 4.817 . . . . 30.0 124.007 167.061 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 43.1 m -71.53 -40.45 70.06 Favored 'General case' 0 CA--C 1.575 1.914 0 CA-C-O 125.472 2.558 . . . . 30.0 112.137 159.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -44.96 -45.31 10.45 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 120.467 3.506 . . . . 30.0 120.467 149.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . 0.563 90.3 m-70 -63.73 -23.37 67.34 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 120.806 3.632 . . . . 30.0 120.806 152.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' THR 0.575 27.8 tp -49.43 -54.38 30.86 Favored Pre-proline 0 C--N 1.302 -1.494 0 N-CA-C 121.157 3.762 . . . . 30.0 121.157 152.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -66.39 20.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.971 1 N-CA-C 127.206 5.81 . . . . 30.0 127.206 142.237 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.93 69.99 6.4 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.399 -1.273 . . . . 30.0 113.641 129.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -83.17 65.69 8.35 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 117.113 2.264 . . . . 30.0 117.113 -175.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -53.63 -47.36 70.37 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.436 2.013 . . . . 30.0 116.436 118.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m -73.97 139.34 44.77 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 115.464 1.653 . . . . 30.0 115.464 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -113.71 89.41 3.08 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.288 -1.375 . . . . 30.0 107.288 134.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 32.7 p 56.47 47.98 17.71 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.067 2.247 . . . . 30.0 117.067 -167.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.62 71.25 0.49 Allowed Glycine 0 CA--C 1.555 2.574 0 CA-C-O 116.557 -2.246 . . . . 30.0 116.345 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -113.27 69.97 0.16 OUTLIER 'Cis proline' 0 CA--C 1.577 2.626 0 CA-C-N 123.384 3.592 . . . . 30.0 114.604 0.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 mt -127.24 134.87 50.03 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.147 -1.596 . . . . 30.0 114.886 -162.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 28' ' ' CYS . 5.1 t -129.24 90.67 44.18 Favored Pre-proline 0 CA--C 1.594 2.647 0 O-C-N 117.324 -3.36 . . . . 30.0 119.064 -56.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.25 123.84 0.74 Allowed 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 125.92 3.15 . . . . 30.0 117.154 16.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.4 47.03 2.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 118.505 -2.622 . . . . 30.0 116.482 62.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 22.1 p -60.78 109.57 1.09 Allowed 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 118.066 2.617 . . . . 30.0 118.066 -170.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -86.17 60.15 6.06 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 122.304 1.049 . . . . 30.0 112.545 165.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.94 109.11 5.51 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.017 1.327 . . . . 30.0 109.02 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 115.6 1.704 . . . . 30.0 115.6 -178.965 . . . . . . . . 0 0 . 1 stop_ save_