data_1hll_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 1hll _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' ' ' THR . . . . . 1.535 HG22 ' CB ' ' A' ' 1' ' ' THR 0.37 2.5 m . . . . . 2 N--CA 1.146 -15.654 0 CA-C-O 122.408 1.099 . . . . 2.9500000000000002 112.317 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 1.587 ' HG ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -91.03 -6.69 53.53 Favored 'General case' 1 C--N 1.217 -5.167 0 CA-C-N 115.273 -0.876 . . . . 2.5299999999999998 111.38 179.962 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -93.64 9.39 37.09 Favored 'General case' 2 C--O 1.047 -9.579 0 CA-C-O 122.785 1.279 . . . . 2.4900000000000002 111.055 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 1.475 HD11 ' CG1' ' A' ' 4' ' ' ILE . 70.0 mt -112.67 -59.71 3.12 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.308 0 O-C-N 117.697 -3.127 . . . . 2.4100000000000001 109.639 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 1.049 HG11 ' CB ' ' A' ' 5' ' ' VAL . 56.0 t -41.94 -58.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.252 -3.64 0 CA-C-N 113.821 -1.536 . . . . 1.8400000000000001 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 5' ' ' VAL . 12.2 t60 -43.25 -53.7 4.99 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.072 -1.422 . . . . 2.5899999999999999 110.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.608 HD12 ' CG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -54.57 -55.03 33.55 Favored 'General case' 0 C--N 1.257 -3.441 0 CA-C-N 114.01 -1.45 . . . . 2.3900000000000001 110.406 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.985 ' HG ' ' CB ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -51.45 -27.53 10.62 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 125.418 1.699 . . . . 1.8200000000000001 108.756 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.165 ' HB1' ' CA ' ' A' ' 9' ' ' ALA . . . -75.64 5.27 6.3 Favored 'General case' 1 C--O 1.004 -11.83 0 CA-C-N 114.425 -1.261 . . . . 1.8 112.722 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 1.581 HD12 ' CG1' ' A' ' 10' ' ' ILE . 19.2 mt -113.06 -52.89 5.26 Favored 'Isoleucine or valine' 1 C--N 1.194 -6.158 0 O-C-N 117.743 -3.098 . . . . 2.1400000000000001 110.221 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 1.577 ' HG ' ' CB ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -63.7 -16.2 60.42 Favored 'General case' 1 C--O 0.765 -24.434 1 CA-C-O 128.793 4.14 . . . . 2.1099999999999999 109.762 -179.988 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 1.597 HD11 ' CG ' ' A' ' 12' ' ' LEU . 44.4 tp -89.82 -53.59 4.44 Favored 'General case' 2 C--N 0.956 -16.532 3 O-C-N 96.183 -16.573 . . . . 2.6200000000000001 111.31 -179.952 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 1.282 ' OD1' ' CB ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -48.76 -47.48 41.67 Favored 'General case' 1 C--N 1.221 -5.018 0 O-C-N 120.619 -1.301 . . . . 1.8 109.919 179.993 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -43.59 -46.35 7.11 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 114.001 -1.454 . . . . 3.6600000000000001 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.463 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 43.6 m-85 -84.33 -2.97 57.96 Favored 'General case' 1 C--O 0.97 -13.629 0 CA-C-O 125.934 2.778 . . . . 2.6899999999999999 112.191 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.621 ' HB3' ' O ' ' A' ' 13' ' ' ASP . 47.4 t-105 -71.9 -58.47 3.42 Favored 'General case' 1 C--N 1.061 -11.97 1 O-C-N 110.987 -7.321 . . . . 2.1099999999999999 109.612 -179.988 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 1.316 ' HG ' ' CB ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -55.13 -43.73 74.39 Favored 'General case' 1 C--O 1.031 -10.417 0 CA-C-N 113.892 -1.504 . . . . 1.71 110.374 -179.99 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 1.614 HD12 ' CG1' ' A' ' 18' ' ' ILE . 96.1 mt -58.17 -57.8 9.19 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.307 1 O-C-N 116.242 -4.036 . . . . 2.1400000000000001 110.453 -179.977 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.388 HG22 ' CB ' ' A' ' 19' ' ' THR . 54.2 m -48.53 -47.26 39.25 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.033 -1.44 . . . . 2.2000000000000002 111.714 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.479 ' HG3' ' CB ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER -58.25 -19.07 31.16 Favored 'General case' 1 C--O 0.836 -20.698 0 CA-C-N 113.957 -1.474 . . . . 3.1499999999999999 111.187 -179.969 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 1.104 ' HB3' ' CA ' ' A' ' 21' ' ' ALA . . . -103.59 -1.37 28.36 Favored 'General case' 2 C--O 0.88 -18.35 3 O-C-N 107.195 -9.691 . . . . 1.6599999999999999 110.622 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.559 HD11 ' CG1' ' A' ' 22' ' ' ILE . 47.6 mt -97.05 -56.71 4.98 Favored 'Isoleucine or valine' 3 C--N 1.081 -11.08 3 O-C-N 110.233 -7.792 . . . . 2.2999999999999998 112.704 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 1.502 ' HG3' ' CB ' ' A' ' 23' ' ' GLU 0.292 3.6 tt0 -63.91 -11.71 30.53 Favored 'General case' 4 C--O 0.993 -12.435 0 CA-C-N 113.85 -1.523 . . . . 3.3199999999999998 110.231 179.992 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.552 ' HD1' ' CD2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -68.63 -40.25 80.42 Favored 'General case' 4 N--CA 1.239 -11.023 0 CA-C-O 122.599 1.19 . . . . 4.9100000000000001 109.088 179.968 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.288 0.8 OUTLIER -126.8 75.3 1.55 Allowed 'General case' 4 N--CA 1.236 -11.136 0 CA-C-N 113.017 -1.901 . . . . 3.8399999999999999 112.487 179.996 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.654 HD22 ' CG ' ' A' ' 26' ' ' LEU 0.313 0.6 OUTLIER -130.4 -64.24 0.85 Allowed 'General case' 4 C--O 1.015 -11.288 0 CA-C-O 123.328 1.537 . . . . 3.1299999999999999 114.35 179.993 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.627 ' HE2' ' CD ' ' A' ' 27' ' ' LYS 0.308 37.9 tttt -122.97 61.2 1.02 Allowed 'General case' 4 C--O 1.003 -11.881 0 O-C-N 118.093 -2.88 . . . . 5.1399999999999997 107.5 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 1.68 ' HD3' ' CZ ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -107.54 159.13 16.67 Favored 'General case' 4 C--O 0.921 -16.236 0 CA-C-O 114.667 -2.587 . . . . 6.3099999999999996 110.953 -179.976 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.606 ' HG1' ' CG ' ' A' ' 30' ' ' PRO 1.32 0.2 OUTLIER -95.54 75.77 0.05 OUTLIER Pre-proline 4 C--O 0.3 -48.869 2 N-CA-C 154.631 16.16 . . . . 6.4699999999999998 154.631 179.945 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 1.606 ' CG ' ' HG1' ' A' ' 29' ' ' THR 1.333 45.8 Cg_endo -42.57 137.32 3.98 Favored 'Trans proline' 4 N--CA 0.306 -68.355 4 C-N-CA 91.595 -18.47 . . . . 8.1899999999999995 149.907 179.947 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 1.643 ' HD3' ' CA ' ' A' ' 32' ' ' ARG 1.131 0.0 OUTLIER -136.56 171.18 14.87 Favored 'General case' 4 CA--C 0.382 -43.981 2 O-C-N 89.646 -20.659 . . . . 11.300000000000001 102.624 179.949 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 1.643 ' CA ' ' HD3' ' A' ' 31' ' ' ARG 1.293 22.0 mtt-85 . . . . . 4 C--O 0.176 -55.436 2 O-C-N 154.355 19.785 . . . . 13.68 113.297 -179.998 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.37 2.5 m . . . . . 2 N--CA 1.146 -15.654 0 CA-C-O 122.408 1.099 . . . . 2.64 112.317 . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -6.69 53.53 Favored 'General case' 1 C--N 1.217 -5.167 0 CA-C-N 115.273 -0.876 . . . . 2.12 111.38 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -93.64 9.39 37.09 Favored 'General case' 2 C--O 1.047 -9.579 0 CA-C-O 122.785 1.279 . . . . 2.16 111.055 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.279 ' CD1' ' CB ' ' A' ' 4' ' ' ILE . 70.0 mt -112.67 -59.71 3.12 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.308 0 O-C-N 117.697 -3.127 . . . . 1.94 109.639 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 4' ' ' ILE . 56.0 t -41.94 -58.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.252 -3.64 0 CA-C-N 113.821 -1.536 . . . . 1.4 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.729 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 t60 -43.25 -53.7 4.99 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.072 -1.422 . . . . 2.08 110.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.57 -55.03 33.55 Favored 'General case' 0 C--N 1.257 -3.441 0 CA-C-N 114.01 -1.45 . . . . 1.93 110.406 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -27.53 10.62 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 125.418 1.699 . . . . 1.43 108.756 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -75.64 5.27 6.3 Favored 'General case' 1 C--O 1.004 -11.83 0 CA-C-N 114.425 -1.261 . . . . 1.19 112.722 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.22 ' CD1' ' CB ' ' A' ' 10' ' ' ILE . 19.2 mt -113.06 -52.89 5.26 Favored 'Isoleucine or valine' 1 C--N 1.194 -6.158 0 O-C-N 117.743 -3.098 . . . . 1.54 110.221 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -16.2 60.42 Favored 'General case' 1 C--O 0.765 -24.434 1 CA-C-O 128.793 4.14 . . . . 1.79 109.762 -179.988 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.589 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 44.4 tp -89.82 -53.59 4.44 Favored 'General case' 2 C--N 0.956 -16.532 3 O-C-N 96.183 -16.573 . . . . 2.11 111.31 -179.952 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 1.282 ' OD1' ' CB ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -48.76 -47.48 41.67 Favored 'General case' 1 C--N 1.221 -5.018 0 O-C-N 120.619 -1.301 . . . . 1.8 109.919 179.993 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -43.59 -46.35 7.11 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 114.001 -1.454 . . . . 3.17 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.463 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 43.6 m-85 -84.33 -2.97 57.96 Favored 'General case' 1 C--O 0.97 -13.629 0 CA-C-O 125.934 2.778 . . . . 2.0 112.191 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.657 ' HB3' ' O ' ' A' ' 13' ' ' ASP . 47.4 t-105 -71.9 -58.47 3.42 Favored 'General case' 1 C--N 1.061 -11.97 1 O-C-N 110.987 -7.321 . . . . 1.94 109.612 -179.988 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -43.73 74.39 Favored 'General case' 1 C--O 1.031 -10.417 0 CA-C-N 113.892 -1.504 . . . . 1.36 110.374 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.179 ' CD1' ' CB ' ' A' ' 18' ' ' ILE . 96.1 mt -58.17 -57.8 9.19 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.307 1 O-C-N 116.242 -4.036 . . . . 1.47 110.453 -179.977 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -48.53 -47.26 39.25 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.033 -1.44 . . . . 1.59 111.714 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.328 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER -58.25 -19.07 31.16 Favored 'General case' 1 C--O 0.836 -20.698 0 CA-C-N 113.957 -1.474 . . . . 2.71 111.187 -179.969 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.59 -1.37 28.36 Favored 'General case' 2 C--O 0.88 -18.35 3 O-C-N 107.195 -9.691 . . . . 1.43 110.622 -179.995 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.585 ' C ' ' H ' ' A' ' 24' ' ' TYR . 47.6 mt -97.05 -56.71 4.98 Favored 'Isoleucine or valine' 3 C--N 1.081 -11.08 3 O-C-N 110.233 -7.792 . . . . 1.81 112.704 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.479 ' CD ' ' CB ' ' A' ' 23' ' ' GLU 0.292 3.6 tt0 -63.91 -11.71 30.53 Favored 'General case' 4 C--O 0.993 -12.435 0 CA-C-N 113.85 -1.523 . . . . 3.32 110.231 179.992 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.693 ' CG ' ' HD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -68.63 -40.25 80.42 Favored 'General case' 4 N--CA 1.239 -11.023 0 CA-C-O 122.599 1.19 . . . . 4.52 109.088 179.968 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.288 0.8 OUTLIER -126.8 75.3 1.55 Allowed 'General case' 4 N--CA 1.236 -11.136 0 CA-C-N 113.017 -1.901 . . . . 3.59 112.487 179.996 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 27' ' ' LYS 0.313 0.6 OUTLIER -130.4 -64.24 0.85 Allowed 'General case' 4 C--O 1.015 -11.288 0 CA-C-O 123.328 1.537 . . . . 2.99 114.35 179.993 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 27' ' ' LYS 0.308 37.9 tttt -122.97 61.2 1.02 Allowed 'General case' 4 C--O 1.003 -11.881 0 O-C-N 118.093 -2.88 . . . . 4.83 107.5 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -107.54 159.13 16.67 Favored 'General case' 4 C--O 0.921 -16.236 0 CA-C-O 114.667 -2.587 . . . . 5.65 110.953 -179.976 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 28' ' ' ARG 1.32 0.2 OUTLIER -95.54 75.77 0.05 OUTLIER Pre-proline 4 C--O 0.3 -48.869 2 N-CA-C 154.631 16.16 . . . . 6.06 154.631 179.945 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . 1.333 45.8 Cg_endo -42.57 137.32 3.98 Favored 'Trans proline' 4 N--CA 0.306 -68.355 4 C-N-CA 91.595 -18.47 . . . . 7.42 149.907 179.947 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . 1.131 0.0 OUTLIER -136.56 171.18 14.87 Favored 'General case' 4 CA--C 0.382 -43.981 2 O-C-N 89.646 -20.659 . . . . 10.81 102.624 179.949 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 1.293 22.0 mtt-85 . . . . . 4 C--O 0.176 -55.436 2 O-C-N 154.355 19.785 . . . . 13.32 113.297 -179.998 . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.37 2.5 m . . . . . 2 N--CA 1.146 -15.654 0 CA-C-O 122.408 1.099 . . . . 2.6400000000000001 112.317 . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -6.69 53.53 Favored 'General case' 1 C--N 1.217 -5.167 0 CA-C-N 115.273 -0.876 . . . . 2.1200000000000001 111.38 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -93.64 9.39 37.09 Favored 'General case' 2 C--O 1.047 -9.579 0 CA-C-O 122.785 1.279 . . . . 2.1600000000000001 111.055 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.279 ' CD1' ' CB ' ' A' ' 4' ' ' ILE . 70.0 mt -112.67 -59.71 3.12 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.308 0 O-C-N 117.697 -3.127 . . . . 1.9399999999999999 109.639 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 4' ' ' ILE . 56.0 t -41.94 -58.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.252 -3.64 0 CA-C-N 113.821 -1.536 . . . . 1.3999999999999999 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.729 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 t60 -43.25 -53.7 4.99 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.072 -1.422 . . . . 2.0800000000000001 110.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.57 -55.03 33.55 Favored 'General case' 0 C--N 1.257 -3.441 0 CA-C-N 114.01 -1.45 . . . . 1.9299999999999999 110.406 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -27.53 10.62 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 125.418 1.699 . . . . 1.4299999999999999 108.756 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -75.64 5.27 6.3 Favored 'General case' 1 C--O 1.004 -11.83 0 CA-C-N 114.425 -1.261 . . . . 1.1899999999999999 112.722 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.22 ' CD1' ' CB ' ' A' ' 10' ' ' ILE . 19.2 mt -113.06 -52.89 5.26 Favored 'Isoleucine or valine' 1 C--N 1.194 -6.158 0 O-C-N 117.743 -3.098 . . . . 1.54 110.221 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -16.2 60.42 Favored 'General case' 1 C--O 0.765 -24.434 1 CA-C-O 128.793 4.14 . . . . 1.79 109.762 -179.988 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.589 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 44.4 tp -89.82 -53.59 4.44 Favored 'General case' 2 C--N 0.956 -16.532 3 O-C-N 96.183 -16.573 . . . . 2.1099999999999999 111.31 -179.952 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 1.282 ' OD1' ' CB ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -48.76 -47.48 41.67 Favored 'General case' 1 C--N 1.221 -5.018 0 O-C-N 120.619 -1.301 . . . . 1.8 109.919 179.993 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -43.59 -46.35 7.11 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 114.001 -1.454 . . . . 3.1699999999999999 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.463 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 43.6 m-85 -84.33 -2.97 57.96 Favored 'General case' 1 C--O 0.97 -13.629 0 CA-C-O 125.934 2.778 . . . . 2.0 112.191 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.657 ' HB3' ' O ' ' A' ' 13' ' ' ASP . 47.4 t-105 -71.9 -58.47 3.42 Favored 'General case' 1 C--N 1.061 -11.97 1 O-C-N 110.987 -7.321 . . . . 1.9399999999999999 109.612 -179.988 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -43.73 74.39 Favored 'General case' 1 C--O 1.031 -10.417 0 CA-C-N 113.892 -1.504 . . . . 1.3600000000000001 110.374 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.179 ' CD1' ' CB ' ' A' ' 18' ' ' ILE . 96.1 mt -58.17 -57.8 9.19 Favored 'Isoleucine or valine' 1 C--N 1.145 -8.307 1 O-C-N 116.242 -4.036 . . . . 1.47 110.453 -179.977 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -48.53 -47.26 39.25 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.033 -1.44 . . . . 1.5900000000000001 111.714 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.328 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER -58.25 -19.07 31.16 Favored 'General case' 1 C--O 0.836 -20.698 0 CA-C-N 113.957 -1.474 . . . . 2.71 111.187 -179.969 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.59 -1.37 28.36 Favored 'General case' 2 C--O 0.88 -18.35 3 O-C-N 107.195 -9.691 . . . . 1.4299999999999999 110.622 -179.995 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.585 ' C ' ' H ' ' A' ' 24' ' ' TYR . 47.6 mt -97.05 -56.71 4.98 Favored 'Isoleucine or valine' 3 C--N 1.081 -11.08 3 O-C-N 110.233 -7.792 . . . . 1.8100000000000001 112.704 -179.995 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.479 ' CD ' ' CB ' ' A' ' 23' ' ' GLU 0.292 3.6 tt0 -63.91 -11.71 30.53 Favored 'General case' 4 C--O 0.993 -12.435 0 CA-C-N 113.85 -1.523 . . . . 3.3199999999999998 110.231 179.992 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.693 ' CG ' ' HD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -68.63 -40.25 80.42 Favored 'General case' 4 N--CA 1.239 -11.023 0 CA-C-O 122.599 1.19 . . . . 4.5199999999999996 109.088 179.968 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.288 0.8 OUTLIER -126.8 75.3 1.55 Allowed 'General case' 4 N--CA 1.236 -11.136 0 CA-C-N 113.017 -1.901 . . . . 3.5899999999999999 112.487 179.996 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 27' ' ' LYS 0.313 0.6 OUTLIER -130.4 -64.24 0.85 Allowed 'General case' 4 C--O 1.015 -11.288 0 CA-C-O 123.328 1.537 . . . . 2.9900000000000002 114.35 179.993 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 27' ' ' LYS 0.308 37.9 tttt -122.97 61.2 1.02 Allowed 'General case' 4 C--O 1.003 -11.881 0 O-C-N 118.093 -2.88 . . . . 4.8300000000000001 107.5 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -107.54 159.13 16.67 Favored 'General case' 4 C--O 0.921 -16.236 0 CA-C-O 114.667 -2.587 . . . . 5.6500000000000004 110.953 -179.976 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 28' ' ' ARG 1.32 0.2 OUTLIER -95.54 75.77 0.05 OUTLIER Pre-proline 4 C--O 0.3 -48.869 2 N-CA-C 154.631 16.16 . . . . 6.0599999999999996 154.631 179.945 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . 1.333 45.8 Cg_endo -42.57 137.32 3.98 Favored 'Trans proline' 4 N--CA 0.306 -68.355 4 C-N-CA 91.595 -18.47 . . . . 7.4199999999999999 149.907 179.947 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . 1.131 0.0 OUTLIER -136.56 171.18 14.87 Favored 'General case' 4 CA--C 0.382 -43.981 2 O-C-N 89.646 -20.659 . . . . 10.81 102.624 179.949 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 1.293 22.0 mtt-85 . . . . . 4 C--O 0.176 -55.436 2 O-C-N 154.355 19.785 . . . . 13.32 113.297 -179.998 . . . . . . . . 3 1 . 1 stop_ save_