data_1k37_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 1k37 _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' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 121.567 0.698 . . . . 4.5800000000000001 110.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -122.01 71.01 0.98 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.167 -0.958 . . . . 2.3100000000000001 110.265 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.73 145.22 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.148 -0.97 . . . . 1.45 110.585 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 21' ' ' TYR . 3.9 m -116.45 168.42 10.17 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 1.71 109.628 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -99.82 167.55 10.46 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.181 -0.949 . . . . 3.4900000000000002 110.955 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.012 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.1 m -99.55 -177.64 3.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.616 -0.678 . . . . 1.1100000000000001 110.508 179.969 -72.396 169.531 -64.829 86.313 2.587 104.606 -81.511 -157.884 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -107.16 -166.29 1.15 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.478 -0.764 . . . . 2.4100000000000001 110.446 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -78.54 -33.87 47.54 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.38 -0.825 . . . . 2.75 111.156 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.08 35.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.08 -1.013 . . . . 2.9500000000000002 110.228 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.53 5.08 6.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.356 -0.84 . . . . 4.2199999999999998 111.146 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.52 70.08 1.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.066 -1.021 . . . . 2.8999999999999999 109.851 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.87 44.29 1.36 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.908 -1.277 . . . . 1.04 109.908 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.65 -62.16 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.471 -1.017 . . . . 1.28 109.981 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 7.8 p -90.72 117.73 29.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.571 -0.706 . . . . 1.1200000000000001 110.322 179.929 50.26 -123.91 -26.901 111.397 2.594 95.106 -114.548 -91.232 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB2' ' ND1' ' A' ' 16' ' ' HIS . 8.6 mt -90.18 -41.04 11.84 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.467 -0.771 . . . . 1.3899999999999999 110.413 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.492 ' ND1' ' HB2' ' A' ' 15' ' ' LEU . 22.5 m80 -113.17 85.23 2.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.559 -0.713 . . . . 0.68000000000000005 109.963 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.87 -145.52 7.97 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.024 -1.231 . . . . 0.78000000000000003 110.024 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -137.0 142.64 42.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.983 . . . . 2.8100000000000001 110.342 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 1.012 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.1 t -96.37 121.73 38.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.478 -0.764 . . . . 1.0900000000000001 110.256 179.676 -157.884 -81.511 -64.829 104.606 2.587 86.313 169.531 -72.396 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.668 HG13 ' HB3' ' A' ' 29' ' ' TYR . 26.8 pt -135.72 -167.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.686 -0.634 . . . . 1.98 109.927 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 16.7 t80 -145.26 135.44 23.93 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.113 -0.992 . . . . 0.91000000000000003 110.524 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 29' ' ' TYR . 1.4 mm? -89.9 130.71 36.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.396 -0.815 . . . . 1.8200000000000001 110.795 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 2' ' ' SER . 8.6 p -89.04 -25.94 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.587 -0.696 . . . . 1.3999999999999999 110.967 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -78.09 -25.21 47.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.222 -0.924 . . . . 2.4100000000000001 109.36 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 ttm -139.19 66.7 1.41 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.615 -1.254 . . . . 2.77 107.615 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 p -28.55 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.938 0.875 . . . . 1.28 112.402 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -160.31 147.39 15.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.388 -0.597 . . . . 2.6200000000000001 109.388 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.87 108.23 2.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.444 -0.785 . . . . 2.9900000000000002 109.41 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.668 ' HB3' HG13 ' A' ' 20' ' ' ILE . 16.4 t80 -95.99 136.13 36.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.724 -0.61 . . . . 1.3100000000000001 110.252 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m -129.96 107.87 9.68 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 1.0700000000000001 110.085 179.704 -91.232 -114.548 -26.901 95.106 2.594 111.397 -123.91 50.26 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -79.63 117.0 20.15 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.457 -0.777 . . . . 2.3999999999999999 108.913 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 89.7 m -79.45 172.93 13.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.571 -0.706 . . . . 1.5 110.672 -179.393 -68.168 -66.474 -43.679 95.7 2.585 101.249 -80.815 31.483 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -79.45 131.3 36.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.7 . . . . 1.46 109.731 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.56 108.77 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 108.926 -0.768 . . . . 1.99 108.926 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.55 -16.28 2.89 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.824 -1.31 . . . . 0.97999999999999998 109.824 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -78.7 163.04 25.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.249 -1.148 . . . . 0.87 109.881 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.667 ' HB ' ' HB3' ' A' ' 45' ' ' PHE . 5.6 t -108.92 40.89 1.71 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 118.98 -1.088 . . . . 1.26 111.05 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.71 29.19 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.368 -1.493 . . . . 0.88 109.368 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.41 24.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.311 -1.111 . . . . 1.9399999999999999 110.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.01 16.08 2.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.404 -0.81 . . . . 2.2999999999999998 110.287 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 32.65 82.75 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.581 -0.699 . . . . 1.4399999999999999 112.56 179.566 31.483 -80.815 -43.679 101.249 2.585 95.7 -66.474 -68.168 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.85 -34.14 0.4 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.535 -0.728 . . . . 2.3599999999999999 111.012 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CE1' HG23 ' A' ' 37' ' ' THR . 6.5 p80 -121.53 117.36 26.61 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.266 1.031 . . . . 2.52 110.526 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 46' ' ' LEU . 26.9 t80 -79.94 106.05 11.67 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.626 -0.715 . . . . 1.6699999999999999 109.733 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.667 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -67.61 -28.2 67.55 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.653 -0.655 . . . . 2.1600000000000001 110.45 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 4.6 mt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.431 -0.793 . . . . 2.1600000000000001 111.161 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 1' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 121.567 0.698 . . . . 4.1500000000000004 110.39 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -122.01 71.01 0.98 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.167 -0.958 . . . . 1.97 110.265 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -79.73 145.22 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.148 -0.97 . . . . 0.85999999999999999 110.585 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 21' ' ' TYR . 3.9 m -116.45 168.42 10.17 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 1.3999999999999999 109.628 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -99.82 167.55 10.46 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.181 -0.949 . . . . 3.0600000000000001 110.955 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.1 m -99.55 -177.64 3.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.616 -0.678 . . . . 1.03 110.508 179.969 -72.396 169.531 -64.829 86.313 2.587 104.606 -81.511 -157.884 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -107.16 -166.29 1.15 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.478 -0.764 . . . . 2.0499999999999998 110.446 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -78.54 -33.87 47.54 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.38 -0.825 . . . . 2.3500000000000001 111.156 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.08 35.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.08 -1.013 . . . . 2.9500000000000002 110.228 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.53 5.08 6.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.356 -0.84 . . . . 3.8399999999999999 111.146 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.52 70.08 1.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.066 -1.021 . . . . 2.5 109.851 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.87 44.29 1.36 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.908 -1.277 . . . . 1.04 109.908 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.65 -62.16 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.471 -1.017 . . . . 0.88 109.981 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 7.8 p -90.72 117.73 29.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.571 -0.706 . . . . 0.62 110.322 179.929 50.26 -123.91 -26.901 111.397 2.594 95.106 -114.548 -91.232 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' ND1' ' A' ' 16' ' ' HIS . 8.6 mt -90.18 -41.04 11.84 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.467 -0.771 . . . . 0.72999999999999998 110.413 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 15' ' ' LEU . 22.5 m80 -113.17 85.23 2.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.559 -0.713 . . . . 0.66000000000000003 109.963 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.87 -145.52 7.97 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.024 -1.231 . . . . 0.78000000000000003 110.024 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -137.0 142.64 42.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.983 . . . . 2.3799999999999999 110.342 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.1 t -96.37 121.73 38.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.478 -0.764 . . . . 0.79000000000000004 110.256 179.676 -157.884 -81.511 -64.829 104.606 2.587 86.313 169.531 -72.396 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.856 HD12 HD11 ' A' ' 3' ' ' ILE . 26.8 pt -135.72 -167.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.686 -0.634 . . . . 1.3899999999999999 109.927 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 16.7 t80 -145.26 135.44 23.93 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.113 -0.992 . . . . 0.68000000000000005 110.524 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 29' ' ' TYR . 1.4 mm? -89.9 130.71 36.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.396 -0.815 . . . . 1.21 110.795 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 2' ' ' SER . 8.6 p -89.04 -25.94 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.587 -0.696 . . . . 0.83999999999999997 110.967 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -78.09 -25.21 47.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.222 -0.924 . . . . 2.4100000000000001 109.36 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 ttm -139.19 66.7 1.41 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.615 -1.254 . . . . 2.27 107.615 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 p -28.55 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.938 0.875 . . . . 0.92000000000000004 112.402 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -160.31 147.39 15.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.388 -0.597 . . . . 2.23 109.388 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.87 108.23 2.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.444 -0.785 . . . . 2.3700000000000001 109.41 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.842 ' CD1' HD11 ' A' ' 20' ' ' ILE . 16.4 t80 -95.99 136.13 36.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.724 -0.61 . . . . 0.76000000000000001 110.252 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m -129.96 107.87 9.68 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.58999999999999997 110.085 179.704 -91.232 -114.548 -26.901 95.106 2.594 111.397 -123.91 50.26 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -79.63 117.0 20.15 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.457 -0.777 . . . . 1.9299999999999999 108.913 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 89.7 m -79.45 172.93 13.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.571 -0.706 . . . . 1.1499999999999999 110.672 -179.393 -68.168 -66.474 -43.679 95.7 2.585 101.249 -80.815 31.483 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -79.45 131.3 36.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.7 . . . . 1.46 109.731 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.56 108.77 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 108.926 -0.768 . . . . 1.75 108.926 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.55 -16.28 2.89 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.824 -1.31 . . . . 0.62 109.824 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -78.7 163.04 25.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.249 -1.148 . . . . 0.56000000000000005 109.881 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.754 HG23 ' CD2' ' A' ' 43' ' ' HIS . 5.6 t -108.92 40.89 1.71 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 118.98 -1.088 . . . . 0.98999999999999999 111.05 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.71 29.19 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.368 -1.493 . . . . 0.70999999999999996 109.368 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.41 24.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.311 -1.111 . . . . 1.4299999999999999 110.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.01 16.08 2.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.404 -0.81 . . . . 1.74 110.287 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 32.65 82.75 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.581 -0.699 . . . . 1.05 112.56 179.566 31.483 -80.815 -43.679 101.249 2.585 95.7 -66.474 -68.168 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -143.85 -34.14 0.4 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.535 -0.728 . . . . 2.3599999999999999 111.012 179.1 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.754 ' CD2' HG23 ' A' ' 37' ' ' THR . 23.5 p-80 -121.53 117.36 26.61 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.266 1.031 . . . . 1.72 110.526 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 46' ' ' LEU . 26.9 t80 -79.94 106.05 11.67 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.626 -0.715 . . . . 1.3999999999999999 109.733 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -67.61 -28.2 67.55 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.653 -0.655 . . . . 1.8999999999999999 110.45 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 4.6 mt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.431 -0.793 . . . . 1.75 111.161 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 1' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 121.567 0.698 . . . . 4.15 110.39 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -122.01 71.01 0.98 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.167 -0.958 . . . . 1.97 110.265 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -79.73 145.22 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.148 -0.97 . . . . 0.86 110.585 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 21' ' ' TYR . 3.9 m -116.45 168.42 10.17 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 1.4 109.628 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -99.82 167.55 10.46 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.181 -0.949 . . . . 3.06 110.955 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.1 m -99.55 -177.64 3.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.616 -0.678 . . . . 1.03 110.508 179.969 -72.396 169.531 -64.829 86.313 2.587 104.606 -81.511 -157.884 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -107.16 -166.29 1.15 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.478 -0.764 . . . . 2.05 110.446 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -78.54 -33.87 47.54 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.38 -0.825 . . . . 2.35 111.156 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.08 35.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.08 -1.013 . . . . 2.95 110.228 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.53 5.08 6.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.356 -0.84 . . . . 3.84 111.146 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.52 70.08 1.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.066 -1.021 . . . . 2.5 109.851 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.87 44.29 1.36 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.908 -1.277 . . . . 1.04 109.908 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.65 -62.16 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.471 -1.017 . . . . 0.88 109.981 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 7.8 p -90.72 117.73 29.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.571 -0.706 . . . . 0.62 110.322 179.929 50.26 -123.91 -26.901 111.397 2.594 95.106 -114.548 -91.232 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' ND1' ' A' ' 16' ' ' HIS . 8.6 mt -90.18 -41.04 11.84 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.467 -0.771 . . . . 0.73 110.413 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 15' ' ' LEU . 22.5 m80 -113.17 85.23 2.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.559 -0.713 . . . . 0.66 109.963 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.87 -145.52 7.97 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.024 -1.231 . . . . 0.78 110.024 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -137.0 142.64 42.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.983 . . . . 2.38 110.342 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.1 t -96.37 121.73 38.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.478 -0.764 . . . . 0.79 110.256 179.676 -157.884 -81.511 -64.829 104.606 2.587 86.313 169.531 -72.396 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.856 HD12 HD11 ' A' ' 3' ' ' ILE . 26.8 pt -135.72 -167.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.686 -0.634 . . . . 1.39 109.927 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 16.7 t80 -145.26 135.44 23.93 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.113 -0.992 . . . . 0.68 110.524 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 29' ' ' TYR . 1.4 mm? -89.9 130.71 36.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.396 -0.815 . . . . 1.21 110.795 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 2' ' ' SER . 8.6 p -89.04 -25.94 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.587 -0.696 . . . . 0.84 110.967 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -78.09 -25.21 47.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.222 -0.924 . . . . 2.41 109.36 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 ttm -139.19 66.7 1.41 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.615 -1.254 . . . . 2.27 107.615 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 p -28.55 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.938 0.875 . . . . 0.92 112.402 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -160.31 147.39 15.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.388 -0.597 . . . . 2.23 109.388 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.87 108.23 2.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.444 -0.785 . . . . 2.37 109.41 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.842 ' CD1' HD11 ' A' ' 20' ' ' ILE . 16.4 t80 -95.99 136.13 36.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.724 -0.61 . . . . 0.76 110.252 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m -129.96 107.87 9.68 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.59 110.085 179.704 -91.232 -114.548 -26.901 95.106 2.594 111.397 -123.91 50.26 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -79.63 117.0 20.15 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.457 -0.777 . . . . 1.93 108.913 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 89.7 m -79.45 172.93 13.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.571 -0.706 . . . . 1.15 110.672 -179.393 -68.168 -66.474 -43.679 95.7 2.585 101.249 -80.815 31.483 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -79.45 131.3 36.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.7 . . . . 1.46 109.731 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.56 108.77 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 108.926 -0.768 . . . . 1.75 108.926 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.55 -16.28 2.89 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.824 -1.31 . . . . 0.62 109.824 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -78.7 163.04 25.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.249 -1.148 . . . . 0.56 109.881 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.892 HG23 ' CE1' ' A' ' 43' ' ' HIS . 5.6 t -108.92 40.89 1.71 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 118.98 -1.088 . . . . 0.99 111.05 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.71 29.19 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.368 -1.493 . . . . 0.71 109.368 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.41 24.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.311 -1.111 . . . . 1.43 110.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.01 16.08 2.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.404 -0.81 . . . . 1.74 110.287 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 32.65 82.75 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.581 -0.699 . . . . 1.05 112.56 179.566 31.483 -80.815 -43.679 101.249 2.585 95.7 -66.474 -68.168 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -143.85 -34.14 0.4 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.535 -0.728 . . . . 2.36 111.012 179.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.892 ' CE1' HG23 ' A' ' 37' ' ' THR . 6.5 p80 -121.53 117.36 26.61 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.266 1.031 . . . . 1.72 110.526 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 46' ' ' LEU . 26.9 t80 -79.94 106.05 11.67 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.626 -0.715 . . . . 1.4 109.733 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -67.61 -28.2 67.55 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.653 -0.655 . . . . 1.9 110.45 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 4.6 mt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.431 -0.793 . . . . 1.75 111.161 179.839 . . . . . . . . 1 1 . 1 stop_ save_