data_1bor_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 1bor _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' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -124.55 152.12 43.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.299 -0.876 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 4' ' ' PHE . 32.4 mp0 59.69 -94.9 0.05 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.0 109.402 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 3' ' ' GLU . 6.7 t80 -42.51 115.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.4 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -157.18 15.96 0.27 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.148 -0.97 . . . . 0.0 110.396 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.14 170.35 19.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.663 -1.273 . . . . 0.0 111.003 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.86 23.29 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -127.31 -75.51 0.58 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.877 . . . . 0.0 109.773 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -178.21 165.18 1.85 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 109.629 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 6.0 tt0 -62.79 -64.75 0.82 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 -56.44 2.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.475 -0.766 . . . . 0.0 110.147 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -78.34 76.96 4.84 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.038 -1.039 . . . . 0.0 109.407 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.48 103.0 12.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.949 -1.094 . . . . 0.0 110.231 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.32 -63.93 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 16' ' ' ALA . 15.1 tt0 -150.02 86.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.135 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 21.27 99.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -6.12 31.96 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.908 -1.12 . . . . 0.0 109.841 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 26' ' ' HIS . 2.1 t -115.61 111.12 43.99 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.213 -0.93 . . . . 0.0 109.571 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -82.79 -2.62 10.97 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.404 2.069 . . . . 0.0 109.48 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' LEU . 29.8 tttt -47.49 154.15 0.47 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.368 -0.832 . . . . 0.0 110.521 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -38.65 160.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.805 -0.559 . . . . 0.0 110.911 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.714 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 1.1 mt -111.63 7.4 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 22' ' ' LEU . 36.3 Cg_endo -76.74 -30.21 4.97 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 121.144 1.23 . . . . 0.0 110.138 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.4 p -113.94 63.16 0.66 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -0.799 . . . . 0.0 109.351 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 5.2 tt 27.22 57.24 0.08 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.723 -0.611 . . . . 0.0 110.34 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CE1' ' CB ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -121.0 59.54 0.93 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.466 -1.396 . . . . 0.0 110.36 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.544 ' OG1' ' CD2' ' A' ' 22' ' ' LEU . 53.9 m -127.79 34.02 4.7 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -81.31 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.742 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -152.71 103.94 2.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.356 -1.465 . . . . 0.0 110.478 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -51.79 89.52 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.62 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 161.73 -28.09 0.28 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.996 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p -139.75 3.57 2.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.971 -1.311 . . . . 0.0 110.315 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 3.0 tm? -119.92 142.5 48.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.0 110.565 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -169.18 65.0 0.06 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 40' ' ' CYS . . . 47.55 25.5 0.65 Allowed 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -88.97 -21.6 23.45 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.752 -0.593 . . . . 0.0 109.873 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.07 37.79 0.1 OUTLIER Glycine 0 N--CA 1.492 2.379 0 C-N-CA 118.69 -1.719 . . . . 0.0 111.461 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.644 ' CE ' ' CE1' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -125.52 -33.59 2.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.741 -1.447 . . . . 0.0 108.922 178.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 38' ' ' MET . 0.1 OUTLIER 132.22 65.66 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -163.37 154.38 14.2 Favored Pre-proline 0 C--N 1.304 -1.375 0 O-C-N 121.248 -0.908 . . . . 0.0 109.527 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' CYS . 37.9 Cg_endo -85.42 93.26 0.65 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 123.302 2.668 . . . . 0.0 110.964 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.538 ' CG1' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER 30.91 38.28 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 121.435 0.636 . . . . 0.0 109.93 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.645 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . 1.2 m -38.28 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.702 -0.624 . . . . 0.0 109.791 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' C ' ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER 24.1 71.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 120.888 0.375 . . . . 0.0 111.821 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . . . -171.14 -64.39 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.82 -1.175 . . . . 0.0 110.385 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 45' ' ' ALA . 37.9 Cg_endo -81.01 25.69 0.63 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 122.099 1.866 . . . . 0.0 110.967 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CH2' ' NE2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -55.69 -43.59 99.25 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.261 -0.899 . . . . 0.0 112.31 -179.073 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 47' ' ' TRP . 32.2 Cg_endo -74.18 -25.21 13.9 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.573 1.516 . . . . 0.0 111.175 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.81 117.36 31.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.01 -1.056 . . . . 0.0 109.374 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.1 160.19 18.68 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.22 -99.99 0.24 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.89 -1.359 . . . . 0.0 109.228 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -104.64 85.56 2.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.912 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.596 ' CB ' ' CD ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -130.08 -179.89 1.14 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 53' ' ' THR . 36.5 Cg_endo -81.74 -47.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.767 2.312 . . . . 0.0 110.3 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 54' ' ' PRO . . . 74.15 -178.38 0.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.313 -0.867 . . . . 0.0 109.498 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.442 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' GLU . 12.8 mm-40 -124.55 152.12 43.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.299 -0.876 . . . . 0.0 109.489 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 32.4 mp0 59.69 -94.9 0.05 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.0 109.402 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.767 ' CD1' HD22 ' A' ' 22' ' ' LEU . 6.7 t80 -42.51 115.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.4 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 29.5 tt0 -157.18 15.96 0.27 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.148 -0.97 . . . . 0.0 110.396 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -151.14 170.35 19.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.663 -1.273 . . . . 0.0 111.003 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -160.86 23.29 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HA ' ' H ' ' A' ' 16' ' ' ALA . 5.0 mtt-85 -127.31 -75.51 0.58 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.877 . . . . 0.0 109.773 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -178.21 165.18 1.85 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 109.629 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.887 ' CG ' HD23 ' A' ' 33' ' ' LEU . 6.0 tt0 -62.79 -64.75 0.82 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 -56.44 2.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.475 -0.766 . . . . 0.0 110.147 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -78.34 76.96 4.84 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.038 -1.039 . . . . 0.0 109.407 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.614 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -83.48 103.0 12.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.949 -1.094 . . . . 0.0 110.231 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.32 -63.93 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 16' ' ' ALA . 15.1 tt0 -150.02 86.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.135 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' O ' HD22 ' A' ' 56' ' ' LEU . . . 21.27 99.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' CB ' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.2 -6.12 31.96 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.908 -1.12 . . . . 0.0 109.841 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 2.1 t -115.61 111.12 43.99 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.213 -0.93 . . . . 0.0 109.571 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 55' ' ' ALA . 37.2 Cg_endo -82.79 -2.62 10.97 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.404 2.069 . . . . 0.0 109.48 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.616 ' HD3' ' CG ' ' A' ' 26' ' ' HIS . 29.8 tttt -47.49 154.15 0.47 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.368 -0.832 . . . . 0.0 110.521 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' HB2' ' CD ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -38.65 160.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.805 -0.559 . . . . 0.0 110.911 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 mt -111.63 7.4 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 22' ' ' LEU . 36.3 Cg_endo -76.74 -30.21 4.97 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 121.144 1.23 . . . . 0.0 110.138 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.4 p -113.94 63.16 0.66 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -0.799 . . . . 0.0 109.351 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.015 HD23 HD21 ' A' ' 28' ' ' LEU . 5.2 tt 27.22 57.24 0.08 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.723 -0.611 . . . . 0.0 110.34 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.663 ' HE1' ' HB2' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -121.0 59.54 0.93 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.466 -1.396 . . . . 0.0 110.36 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.544 ' OG1' ' CD2' ' A' ' 22' ' ' LEU . 53.9 m -127.79 34.02 4.7 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.015 HD21 HD23 ' A' ' 25' ' ' LEU . 2.8 mm? -81.31 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.742 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.604 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -152.71 103.94 2.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.356 -1.465 . . . . 0.0 110.478 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -51.79 89.52 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.62 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 161.73 -28.09 0.28 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.996 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p -139.75 3.57 2.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.971 -1.311 . . . . 0.0 110.315 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.887 HD23 ' CG ' ' A' ' 10' ' ' GLN . 3.0 tm? -119.92 142.5 48.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.0 110.565 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -169.18 65.0 0.06 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.978 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . 47.55 25.5 0.65 Allowed 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -88.97 -21.6 23.45 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.752 -0.593 . . . . 0.0 109.873 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.07 37.79 0.1 OUTLIER Glycine 0 N--CA 1.492 2.379 0 C-N-CA 118.69 -1.719 . . . . 0.0 111.461 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.722 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -125.52 -33.59 2.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.741 -1.447 . . . . 0.0 108.922 178.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.657 ' HB2' HD13 ' A' ' 25' ' ' LEU . 6.5 mm-40 132.22 65.66 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.978 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 1.3 m -163.37 154.38 14.2 Favored Pre-proline 0 C--N 1.304 -1.375 0 O-C-N 121.248 -0.908 . . . . 0.0 109.527 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' CYS . 37.9 Cg_endo -85.42 93.26 0.65 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 123.302 2.668 . . . . 0.0 110.964 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.538 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER 30.91 38.28 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 121.435 0.636 . . . . 0.0 109.93 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.663 ' HB2' ' HE1' ' A' ' 26' ' ' HIS . 1.2 m -38.28 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.702 -0.624 . . . . 0.0 109.791 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HA ' ' CE3' ' A' ' 47' ' ' TRP . 0.0 OUTLIER 24.1 71.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 120.888 0.375 . . . . 0.0 111.821 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -171.14 -64.39 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.82 -1.175 . . . . 0.0 110.385 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 37.9 Cg_endo -81.01 25.69 0.63 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 122.099 1.866 . . . . 0.0 110.967 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CH2' ' NE2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -55.69 -43.59 99.25 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.261 -0.899 . . . . 0.0 112.31 -179.073 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 47' ' ' TRP . 32.2 Cg_endo -74.18 -25.21 13.9 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.573 1.516 . . . . 0.0 111.175 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.81 117.36 31.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.01 -1.056 . . . . 0.0 109.374 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA2' ' CB ' ' A' ' 21' ' ' LEU . . . -124.1 160.19 18.68 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' ' 21' ' ' LEU . . . -100.22 -99.99 0.24 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.89 -1.359 . . . . 0.0 109.228 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -104.64 85.56 2.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.912 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.596 ' CB ' ' CD ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -130.08 -179.89 1.14 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.668 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 36.5 Cg_endo -81.74 -47.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.767 2.312 . . . . 0.0 110.3 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 54' ' ' PRO . . . 74.15 -178.38 0.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.313 -0.867 . . . . 0.0 109.498 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.442 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' GLU . 12.8 mm-40 -124.55 152.12 43.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.299 -0.876 . . . . 0.0 109.489 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 32.4 mp0 59.69 -94.9 0.05 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.0 109.402 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.767 ' CD1' HD22 ' A' ' 22' ' ' LEU . 6.7 t80 -42.51 115.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.4 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 29.5 tt0 -157.18 15.96 0.27 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.148 -0.97 . . . . 0.0 110.396 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -151.14 170.35 19.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.663 -1.273 . . . . 0.0 111.003 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -160.86 23.29 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HA ' ' H ' ' A' ' 16' ' ' ALA . 5.0 mtt-85 -127.31 -75.51 0.58 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.877 . . . . 0.0 109.773 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -178.21 165.18 1.85 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 109.629 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.887 ' CG ' HD23 ' A' ' 33' ' ' LEU . 6.0 tt0 -62.79 -64.75 0.82 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 -56.44 2.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.475 -0.766 . . . . 0.0 110.147 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -78.34 76.96 4.84 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.038 -1.039 . . . . 0.0 109.407 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.614 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -83.48 103.0 12.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.949 -1.094 . . . . 0.0 110.231 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.32 -63.93 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 16' ' ' ALA . 15.1 tt0 -150.02 86.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.135 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' O ' HD22 ' A' ' 56' ' ' LEU . . . 21.27 99.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' CB ' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.2 -6.12 31.96 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.908 -1.12 . . . . 0.0 109.841 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 2.1 t -115.61 111.12 43.99 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.213 -0.93 . . . . 0.0 109.571 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 55' ' ' ALA . 37.2 Cg_endo -82.79 -2.62 10.97 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.404 2.069 . . . . 0.0 109.48 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.616 ' HD3' ' CG ' ' A' ' 26' ' ' HIS . 29.8 tttt -47.49 154.15 0.47 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.368 -0.832 . . . . 0.0 110.521 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' HB2' ' CD ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -38.65 160.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.805 -0.559 . . . . 0.0 110.911 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 mt -111.63 7.4 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 22' ' ' LEU . 36.3 Cg_endo -76.74 -30.21 4.97 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 121.144 1.23 . . . . 0.0 110.138 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.4 p -113.94 63.16 0.66 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -0.799 . . . . 0.0 109.351 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.015 HD23 HD21 ' A' ' 28' ' ' LEU . 5.2 tt 27.22 57.24 0.08 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.723 -0.611 . . . . 0.0 110.34 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.663 ' HE1' ' HB2' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -121.0 59.54 0.93 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.466 -1.396 . . . . 0.0 110.36 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.544 ' OG1' ' CD2' ' A' ' 22' ' ' LEU . 53.9 m -127.79 34.02 4.7 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.015 HD21 HD23 ' A' ' 25' ' ' LEU . 2.8 mm? -81.31 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.742 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.604 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -152.71 103.94 2.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.356 -1.465 . . . . 0.0 110.478 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -51.79 89.52 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.62 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 161.73 -28.09 0.28 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.996 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p -139.75 3.57 2.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.971 -1.311 . . . . 0.0 110.315 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.887 HD23 ' CG ' ' A' ' 10' ' ' GLN . 3.0 tm? -119.92 142.5 48.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.0 110.565 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -169.18 65.0 0.06 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.978 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . 47.55 25.5 0.65 Allowed 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -88.97 -21.6 23.45 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.752 -0.593 . . . . 0.0 109.873 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.07 37.79 0.1 OUTLIER Glycine 0 N--CA 1.492 2.379 0 C-N-CA 118.69 -1.719 . . . . 0.0 111.461 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.722 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -125.52 -33.59 2.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.741 -1.447 . . . . 0.0 108.922 178.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.657 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER 132.22 65.66 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.978 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 1.3 m -163.37 154.38 14.2 Favored Pre-proline 0 C--N 1.304 -1.375 0 O-C-N 121.248 -0.908 . . . . 0.0 109.527 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' CYS . 37.9 Cg_endo -85.42 93.26 0.65 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 123.302 2.668 . . . . 0.0 110.964 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.538 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER 30.91 38.28 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 121.435 0.636 . . . . 0.0 109.93 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.663 ' HB2' ' HE1' ' A' ' 26' ' ' HIS . 1.2 m -38.28 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.702 -0.624 . . . . 0.0 109.791 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HA ' ' CE3' ' A' ' 47' ' ' TRP . 0.0 OUTLIER 24.1 71.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 120.888 0.375 . . . . 0.0 111.821 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -171.14 -64.39 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.82 -1.175 . . . . 0.0 110.385 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 37.9 Cg_endo -81.01 25.69 0.63 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 122.099 1.866 . . . . 0.0 110.967 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CH2' ' NE2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -55.69 -43.59 99.25 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.261 -0.899 . . . . 0.0 112.31 -179.073 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 47' ' ' TRP . 32.2 Cg_endo -74.18 -25.21 13.9 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.573 1.516 . . . . 0.0 111.175 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.81 117.36 31.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.01 -1.056 . . . . 0.0 109.374 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA2' ' CB ' ' A' ' 21' ' ' LEU . . . -124.1 160.19 18.68 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' ' 21' ' ' LEU . . . -100.22 -99.99 0.24 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.89 -1.359 . . . . 0.0 109.228 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -104.64 85.56 2.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.912 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.596 ' CB ' ' CD ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -130.08 -179.89 1.14 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.668 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 36.5 Cg_endo -81.74 -47.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.767 2.312 . . . . 0.0 110.3 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 54' ' ' PRO . . . 74.15 -178.38 0.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.313 -0.867 . . . . 0.0 109.498 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.442 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_