data_1e9k_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 1e9k _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 . . . . . 0.434 HG21 ' HG2' ' A' ' 3' ' ' GLU . 6.2 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' C ' ' CG ' ' A' ' 3' ' ' GLU . 52.6 Cg_endo -96.9 105.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.117 1.878 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' CG ' ' C ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -175.33 38.51 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.991 -1.068 . . . . 0.0 109.849 -179.73 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.9 -72.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' PRO . 9.4 p-10 -161.36 45.69 0.18 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 111.018 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -152.3 85.77 4.52 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-O 123.577 1.655 . . . . 0.0 109.813 178.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.551 ' CD ' ' HB3' ' A' ' 10' ' ' PRO . 49.6 Cg_endo -82.95 -54.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.286 -2.73 0 O-C-N 125.05 2.079 . . . . 0.0 109.142 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.415 ' H ' ' CG ' ' A' ' 7' ' ' PRO . 2.0 t-80 -177.06 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -141.12 64.9 21.17 Favored Pre-proline 0 N--CA 1.482 1.167 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 1.244 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.6 Cg_endo -67.3 -83.6 0.01 OUTLIER 'Trans proline' 0 C--O 1.286 2.885 0 CA-C-O 126.814 2.756 . . . . 0.0 111.182 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.994 ' HB2' ' CE3' ' A' ' 13' ' ' TRP 0.656 0.7 OUTLIER -118.66 79.51 16.32 Favored Pre-proline 1 C--N 1.214 -5.315 0 CA-C-O 128.078 3.799 . . . . 0.0 117.8 176.74 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 1.244 ' HD3' ' O ' ' A' ' 10' ' ' PRO . 69.0 Cg_endo -95.38 -13.56 0.68 Allowed 'Trans proline' 1 N--CA 1.36 -6.36 4 CA-C-N 101.716 -5.494 . . . . 0.0 100.04 179.709 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.994 ' CE3' ' HB2' ' A' ' 11' ' ' ASN 0.255 5.3 m-90 -48.9 -31.49 7.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 114.782 -2.767 . . . . 0.0 107.312 177.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -131.68 -18.85 2.72 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 116.202 -2.199 . . . . 0.0 116.094 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.575 ' O ' ' CG2' ' A' ' 19' ' ' VAL 0.334 0.0 OUTLIER -54.62 -48.28 72.39 Favored 'General case' 1 C--N 1.237 -4.31 0 CA-C-O 126.653 3.12 . . . . 0.0 106.537 174.658 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.61 -30.21 70.54 Favored 'General case' 1 C--N 1.223 -4.914 1 CA-C-N 107.289 -4.505 . . . . 0.0 108.702 -174.533 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -22.95 44.64 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' CD1' ' O ' ' A' ' 18' ' ' LEU . 1.3 tm? -161.64 21.02 0.11 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 117.547 -1.661 . . . . 0.0 113.587 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.925 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 48.4 t -97.19 -26.34 4.02 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.68 0 CA-C-O 124.023 1.868 . . . . 0.0 109.632 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.754 ' O ' ' N ' ' A' ' 24' ' ' GLU 0.331 0.1 OUTLIER -72.38 -33.6 67.32 Favored 'General case' 0 C--N 1.267 -3.017 0 CA-C-N 109.541 -3.481 . . . . 0.0 107.36 -178.867 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.811 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.4 m -66.68 -69.17 0.32 Allowed 'General case' 0 C--N 1.267 -3.004 0 N-CA-C 100.279 -3.971 . . . . 0.0 100.279 169.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.728 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.1 tt -57.44 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 CA-C-N 112.058 -2.337 . . . . 0.0 110.139 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.925 ' HB2' ' O ' ' A' ' 19' ' ' VAL 0.292 15.7 mtp85 -170.6 -63.62 0.02 OUTLIER 'General case' 0 CA--C 1.454 -2.747 0 C-N-CA 124.253 1.021 . . . . 0.0 109.317 -177.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.874 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -77.1 39.73 0.24 Allowed 'General case' 0 C--N 1.267 -3.007 0 C-N-CA 116.391 -2.124 . . . . 0.0 106.514 176.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.821 ' H ' ' C ' ' A' ' 23' ' ' ARG 0.309 0.2 OUTLIER -129.2 3.38 5.2 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 112.84 -1.982 . . . . 0.0 107.605 177.136 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -54.07 -37.71 64.5 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -148.67 16.04 0.99 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.414 174.086 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.874 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -109.62 -3.41 16.88 Favored 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 25' ' ' ASN 0.267 0.1 OUTLIER -80.92 4.82 18.1 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 169.633 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.717 ' C ' ' CG2' ' A' ' 34' ' ' THR 0.265 1.9 mm-40 -94.82 -33.54 12.81 Favored 'General case' 0 N--CA 1.399 -3.003 1 N-CA-C 100.115 -4.031 . . . . 0.0 100.115 175.078 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 2.3 mtpt -33.01 -39.03 0.04 OUTLIER 'General case' 0 CA--C 1.462 -2.436 0 CA-C-O 124.245 1.974 . . . . 0.0 106.193 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 2.3 m -73.76 -82.7 0.05 Allowed 'General case' 0 C--N 1.251 -3.682 0 CA-C-N 111.052 -2.794 . . . . 0.0 108.618 174.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -69.36 49.78 0.09 Allowed 'General case' 1 C--N 1.231 -4.547 0 C-N-CA 117.66 -1.616 . . . . 0.0 109.392 178.613 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.717 ' CG2' ' C ' ' A' ' 30' ' ' GLU 0.292 0.7 OUTLIER -178.57 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.064 -1.023 . . . . 0.0 112.063 -178.331 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' CB ' ' HA ' ' A' ' 31' ' ' LYS 0.293 . . -137.77 29.05 2.62 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.944 0.878 . . . . 0.0 109.413 -171.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.675 ' CG ' ' O ' ' A' ' 32' ' ' SER 0.288 0.1 OUTLIER -142.82 -0.23 1.19 Allowed 'General case' 0 C--N 1.282 -2.358 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.61 -176.341 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HG2' ' N ' ' A' ' 38' ' ' SER . 79.3 tttt -104.81 -96.31 0.33 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.598 1.189 . . . . 0.0 109.91 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.535 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 29.9 t . . . . . 0 C--N 1.259 -3.348 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.506 HG22 ' HG2' ' A' ' 3' ' ' GLU . 6.2 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' C ' ' CG ' ' A' ' 3' ' ' GLU . 52.6 Cg_endo -96.9 105.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.117 1.878 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' CG ' ' C ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -175.33 38.51 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.991 -1.068 . . . . 0.0 109.849 -179.73 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.9 -72.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' PRO . 9.4 p-10 -161.36 45.69 0.18 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 111.018 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -152.3 85.77 4.52 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-O 123.577 1.655 . . . . 0.0 109.813 178.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 10' ' ' PRO . 49.6 Cg_endo -82.95 -54.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.286 -2.73 0 O-C-N 125.05 2.079 . . . . 0.0 109.142 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -177.06 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -141.12 64.9 21.17 Favored Pre-proline 0 N--CA 1.482 1.167 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 1.253 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.6 Cg_endo -67.3 -83.6 0.01 OUTLIER 'Trans proline' 0 C--O 1.286 2.885 0 CA-C-O 126.814 2.756 . . . . 0.0 111.182 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.027 ' HB2' ' CE3' ' A' ' 13' ' ' TRP 0.656 0.0 OUTLIER -118.66 79.51 16.32 Favored Pre-proline 1 C--N 1.214 -5.315 0 CA-C-O 128.078 3.799 . . . . 0.0 117.8 176.74 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 1.253 ' HD3' ' O ' ' A' ' 10' ' ' PRO . 69.0 Cg_endo -95.38 -13.56 0.68 Allowed 'Trans proline' 1 N--CA 1.36 -6.36 4 CA-C-N 101.716 -5.494 . . . . 0.0 100.04 179.709 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.027 ' CE3' ' HB2' ' A' ' 11' ' ' ASN 0.255 5.3 m-90 -48.9 -31.49 7.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 114.782 -2.767 . . . . 0.0 107.312 177.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -131.68 -18.85 2.72 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 116.202 -2.199 . . . . 0.0 116.094 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' VAL 0.334 0.0 OUTLIER -54.62 -48.28 72.39 Favored 'General case' 1 C--N 1.237 -4.31 0 CA-C-O 126.653 3.12 . . . . 0.0 106.537 174.658 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.797 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.61 -30.21 70.54 Favored 'General case' 1 C--N 1.223 -4.914 1 CA-C-N 107.289 -4.505 . . . . 0.0 108.702 -174.533 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -57.22 -22.95 44.64 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.967 HD13 ' O ' ' A' ' 18' ' ' LEU . 1.3 tm? -161.64 21.02 0.11 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 117.547 -1.661 . . . . 0.0 113.587 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG12 ' HD3' ' A' ' 23' ' ' ARG . 48.4 t -97.19 -26.34 4.02 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.68 0 CA-C-O 124.023 1.868 . . . . 0.0 109.632 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.797 ' CG ' ' HA ' ' A' ' 16' ' ' GLU 0.331 0.1 OUTLIER -72.38 -33.6 67.32 Favored 'General case' 0 C--N 1.267 -3.017 0 CA-C-N 109.541 -3.481 . . . . 0.0 107.36 -178.867 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.4 m -66.68 -69.17 0.32 Allowed 'General case' 0 C--N 1.267 -3.004 0 N-CA-C 100.279 -3.971 . . . . 0.0 100.279 169.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.728 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.1 tt -57.44 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 CA-C-N 112.058 -2.337 . . . . 0.0 110.139 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.98 ' O ' HD22 ' A' ' 26' ' ' LEU 0.292 15.7 mtp85 -170.6 -63.62 0.02 OUTLIER 'General case' 0 CA--C 1.454 -2.747 0 C-N-CA 124.253 1.021 . . . . 0.0 109.317 -177.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.902 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -77.1 39.73 0.24 Allowed 'General case' 0 C--N 1.267 -3.007 0 C-N-CA 116.391 -2.124 . . . . 0.0 106.514 176.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.857 ' HB3' ' O ' ' A' ' 21' ' ' SER 0.309 0.2 OUTLIER -129.2 3.38 5.2 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 112.84 -1.982 . . . . 0.0 107.605 177.136 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -54.07 -37.71 64.5 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -148.67 16.04 0.99 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.414 174.086 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.902 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -109.62 -3.41 16.88 Favored 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 25' ' ' ASN 0.267 2.4 p-80 -80.92 4.82 18.1 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 169.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 34' ' ' THR 0.265 1.9 mm-40 -94.82 -33.54 12.81 Favored 'General case' 0 N--CA 1.399 -3.003 1 N-CA-C 100.115 -4.031 . . . . 0.0 100.115 175.078 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.891 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mtpt -33.01 -39.03 0.04 OUTLIER 'General case' 0 CA--C 1.462 -2.436 0 CA-C-O 124.245 1.974 . . . . 0.0 106.193 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 2.3 m -73.76 -82.7 0.05 Allowed 'General case' 0 C--N 1.251 -3.682 0 CA-C-N 111.052 -2.794 . . . . 0.0 108.618 174.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CE ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -69.36 49.78 0.09 Allowed 'General case' 1 C--N 1.231 -4.547 0 C-N-CA 117.66 -1.616 . . . . 0.0 109.392 178.613 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 30' ' ' GLU 0.292 0.7 OUTLIER -178.57 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.064 -1.023 . . . . 0.0 112.063 -178.331 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 31' ' ' LYS 0.293 . . -137.77 29.05 2.62 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.944 0.878 . . . . 0.0 109.413 -171.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.675 ' CG ' ' O ' ' A' ' 32' ' ' SER 0.288 0.1 OUTLIER -142.82 -0.23 1.19 Allowed 'General case' 0 C--N 1.282 -2.358 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.61 -176.341 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' ' N ' ' A' ' 38' ' ' SER . 79.3 tttt -104.81 -96.31 0.33 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.598 1.189 . . . . 0.0 109.91 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 29.9 t . . . . . 0 C--N 1.259 -3.348 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.506 HG22 ' HG2' ' A' ' 3' ' ' GLU . 6.2 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' C ' ' CG ' ' A' ' 3' ' ' GLU . 52.6 Cg_endo -96.9 105.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.117 1.878 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' CG ' ' C ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -175.33 38.51 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.991 -1.068 . . . . 0.0 109.849 -179.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.9 -72.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' PRO . 9.4 p-10 -161.36 45.69 0.18 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 111.018 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' CG ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -152.3 85.77 4.52 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-O 123.577 1.655 . . . . 0.0 109.813 178.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 10' ' ' PRO . 49.6 Cg_endo -82.95 -54.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.286 -2.73 0 O-C-N 125.05 2.079 . . . . 0.0 109.142 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -177.06 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -141.12 64.9 21.17 Favored Pre-proline 0 N--CA 1.482 1.167 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 1.253 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.6 Cg_endo -67.3 -83.6 0.01 OUTLIER 'Trans proline' 0 C--O 1.286 2.885 0 CA-C-O 126.814 2.756 . . . . 0.0 111.182 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.027 ' HB2' ' CE3' ' A' ' 13' ' ' TRP 0.656 0.7 OUTLIER -118.66 79.51 16.32 Favored Pre-proline 1 C--N 1.214 -5.315 0 CA-C-O 128.078 3.799 . . . . 0.0 117.8 176.74 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 1.253 ' HD3' ' O ' ' A' ' 10' ' ' PRO . 69.0 Cg_endo -95.38 -13.56 0.68 Allowed 'Trans proline' 1 N--CA 1.36 -6.36 4 CA-C-N 101.716 -5.494 . . . . 0.0 100.04 179.709 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.027 ' CE3' ' HB2' ' A' ' 11' ' ' ASN 0.255 5.3 m-90 -48.9 -31.49 7.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 114.782 -2.767 . . . . 0.0 107.312 177.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -131.68 -18.85 2.72 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 116.202 -2.199 . . . . 0.0 116.094 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' VAL 0.334 0.0 OUTLIER -54.62 -48.28 72.39 Favored 'General case' 1 C--N 1.237 -4.31 0 CA-C-O 126.653 3.12 . . . . 0.0 106.537 174.658 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.797 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -61.61 -30.21 70.54 Favored 'General case' 1 C--N 1.223 -4.914 1 CA-C-N 107.289 -4.505 . . . . 0.0 108.702 -174.533 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -57.22 -22.95 44.64 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.967 HD13 ' O ' ' A' ' 18' ' ' LEU . 1.3 tm? -161.64 21.02 0.11 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 117.547 -1.661 . . . . 0.0 113.587 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG12 ' HD3' ' A' ' 23' ' ' ARG . 48.4 t -97.19 -26.34 4.02 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.68 0 CA-C-O 124.023 1.868 . . . . 0.0 109.632 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.797 ' CG ' ' HA ' ' A' ' 16' ' ' GLU 0.331 0.1 OUTLIER -72.38 -33.6 67.32 Favored 'General case' 0 C--N 1.267 -3.017 0 CA-C-N 109.541 -3.481 . . . . 0.0 107.36 -178.867 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.4 m -66.68 -69.17 0.32 Allowed 'General case' 0 C--N 1.267 -3.004 0 N-CA-C 100.279 -3.971 . . . . 0.0 100.279 169.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.728 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.1 tt -57.44 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 CA-C-N 112.058 -2.337 . . . . 0.0 110.139 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.98 ' O ' HD22 ' A' ' 26' ' ' LEU 0.292 15.7 mtp85 -170.6 -63.62 0.02 OUTLIER 'General case' 0 CA--C 1.454 -2.747 0 C-N-CA 124.253 1.021 . . . . 0.0 109.317 -177.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.902 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -77.1 39.73 0.24 Allowed 'General case' 0 C--N 1.267 -3.007 0 C-N-CA 116.391 -2.124 . . . . 0.0 106.514 176.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.857 ' HB3' ' O ' ' A' ' 21' ' ' SER 0.309 0.2 OUTLIER -129.2 3.38 5.2 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 112.84 -1.982 . . . . 0.0 107.605 177.136 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -54.07 -37.71 64.5 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -148.67 16.04 0.99 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.414 174.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.902 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -109.62 -3.41 16.88 Favored 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 25' ' ' ASN 0.267 0.1 OUTLIER -80.92 4.82 18.1 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 169.633 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 34' ' ' THR 0.265 1.9 mm-40 -94.82 -33.54 12.81 Favored 'General case' 0 N--CA 1.399 -3.003 1 N-CA-C 100.115 -4.031 . . . . 0.0 100.115 175.078 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.891 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mtpt -33.01 -39.03 0.04 OUTLIER 'General case' 0 CA--C 1.462 -2.436 0 CA-C-O 124.245 1.974 . . . . 0.0 106.193 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 2.3 m -73.76 -82.7 0.05 Allowed 'General case' 0 C--N 1.251 -3.682 0 CA-C-N 111.052 -2.794 . . . . 0.0 108.618 174.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CE ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -69.36 49.78 0.09 Allowed 'General case' 1 C--N 1.231 -4.547 0 C-N-CA 117.66 -1.616 . . . . 0.0 109.392 178.613 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 30' ' ' GLU 0.292 0.7 OUTLIER -178.57 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.064 -1.023 . . . . 0.0 112.063 -178.331 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 31' ' ' LYS 0.293 . . -137.77 29.05 2.62 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.944 0.878 . . . . 0.0 109.413 -171.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.675 ' CG ' ' O ' ' A' ' 32' ' ' SER 0.288 0.1 OUTLIER -142.82 -0.23 1.19 Allowed 'General case' 0 C--N 1.282 -2.358 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.61 -176.341 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' ' N ' ' A' ' 38' ' ' SER . 79.3 tttt -104.81 -96.31 0.33 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.598 1.189 . . . . 0.0 109.91 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 29.9 t . . . . . 0 C--N 1.259 -3.348 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 stop_ save_