data_1bom_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 1bom _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.892 -1.283 . . . . 3.2200000000000002 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.57 -13.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 120.099 -0.641 . . . . 1.8899999999999999 109.462 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.549 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -71.96 -46.99 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.822 -0.751 . . . . 1.04 111.439 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.467 ' H ' HG11 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -74.34 12.38 0.77 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.867 -1.133 . . . . 2.1000000000000001 109.936 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 3' ' ' VAL . 3.7 tp10 -110.62 -40.06 4.7 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.171 -1.012 . . . . 2.8399999999999999 109.024 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' B' ' 5' ' ' THR . 78.0 m -94.74 -34.68 12.43 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.262 -0.975 . . . . 1.22 110.196 179.799 -63.768 -78.571 96.541 103.561 2.02 104.217 -177.37 86.093 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 t -67.99 -49.98 58.4 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.453 -0.899 . . . . 1.52 108.715 179.914 -165.772 87.993 75.689 104.902 2.024 105.139 -118.129 -33.018 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -54.56 9.75 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 113.92 -1.491 . . . . 3.1499999999999999 113.487 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -131.69 166.06 30.97 Favored Pre-proline 0 N--CA 1.504 2.265 0 C-N-CA 119.867 -0.733 . . . . 2.8100000000000001 112.239 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -45.24 168.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.213 1.275 . . . . 1.73 111.325 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.7 p -178.33 17.14 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.115 -1.809 . . . . 1.54 106.115 -179.802 86.093 -177.37 96.541 104.217 2.02 103.561 -78.571 -63.768 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -37.39 139.69 0.24 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 114.536 -1.211 . . . . 2.3700000000000001 111.21 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.663 ' C ' ' H ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -11.76 -51.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 114.788 1.403 . . . . 2.0800000000000001 114.788 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.564 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.25 11.68 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 117.671 -1.611 . . . . 2.4900000000000002 112.006 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.663 ' H ' ' C ' ' A' ' 13' ' ' VAL . 60.9 t -133.24 -27.37 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 120.235 -0.586 . . . . 1.4099999999999999 109.443 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -86.61 -29.45 22.57 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.714 -1.217 . . . . 1.55 107.714 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.34 -15.63 17.44 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 113.893 -1.503 . . . . 3.1000000000000001 108.969 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.85 -14.93 25.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.232 -1.349 . . . . 2.4300000000000002 111.152 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -72.93 -22.34 60.74 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 118.691 -1.203 . . . . 1.6799999999999999 110.417 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 116.346 -1.788 . . . . 2.04 110.898 -179.998 -102.094 -111.76 -133.323 104.36 2.021 103.811 74.248 -108.965 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' PCA . . . . . 0.49 ' O ' ' C ' ' B' ' -1' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.547 0.213 . . . . 10.23 111.215 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' -2' ' ' PCA . 0.0 OUTLIER 17.23 70.15 0.2 Allowed Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 124.42 1.075 . . . . 9.9499999999999993 113.107 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.69 -147.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.55 1.5 . . . . 5.3600000000000003 110.206 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' B' ' 1' ' ' GLN . 0.0 OUTLIER -77.62 -31.16 52.66 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.517 -0.873 . . . . 8.4700000000000006 110.712 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' B' ' 1' ' ' GLN . . . 164.84 124.72 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.899 -0.72 . . . . 5.1799999999999997 110.716 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 4' ' ' HIS . 6.1 p -168.27 -30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 115.051 -0.977 . . . . 3.52 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -40.81 -40.35 1.33 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.402 -1.272 . . . . 3.4900000000000002 111.782 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' B' ' 6' ' ' TYR . 72.2 p 43.71 -177.96 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.207 -0.906 . . . . 2.7000000000000002 111.786 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -129.94 -168.42 1.96 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.65 -0.705 . . . . 1.9399999999999999 110.175 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.462 ' SG ' ' C ' ' B' ' 6' ' ' TYR . 2.1 m -161.17 110.99 1.66 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.843 -1.143 . . . . 2.0899999999999999 111.008 -179.999 -33.018 -118.129 75.689 105.139 2.024 104.902 87.993 -165.772 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 10' ' ' HIS . . . 77.22 141.61 1.41 Allowed Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.681 -1.247 . . . . 1.1200000000000001 110.169 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' B' ' 11' ' ' LEU . 5.2 ttm180 58.49 -72.17 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.309 -0.556 . . . . 3.27 111.52 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 8' ' ' GLY . 21.3 m-70 -46.54 -14.78 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.908 -1.117 . . . . 2.23 110.508 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 9' ' ' ARG . 4.5 mm? -95.25 -27.4 15.52 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.217 -0.993 . . . . 2.0600000000000001 108.826 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' ARG . . . -76.72 -11.78 59.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 117.885 -1.526 . . . . 1.3400000000000001 108.564 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -97.02 -24.89 15.58 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.603 -1.18 . . . . 4.0 108.378 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.506 ' C ' ' H ' ' B' ' 16' ' ' ALA . 35.7 m -65.65 -54.77 23.09 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.534 -1.212 . . . . 1.5700000000000001 111.295 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.2 9.25 1.31 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.859 -1.136 . . . . 2.1400000000000001 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 14' ' ' THR . . . -107.51 -15.14 14.68 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.639 -1.245 . . . . 1.5600000000000001 107.639 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.13 -24.47 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.795 -1.548 . . . . 2.4900000000000002 107.955 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.527 ' C ' ' N ' ' B' ' 20' ' ' TRP . 11.8 mt -84.54 -51.21 7.06 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.687 -1.205 . . . . 2.2200000000000002 109.004 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -13.79 6.71 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.588 -1.634 . . . . 2.0099999999999998 106.588 179.62 -108.965 74.248 -133.323 103.811 2.021 104.36 -111.76 -102.094 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' TRP . . . . . 0.527 ' N ' ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -86.68 -38.05 17.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.042 -1.89 . . . . 3.3500000000000001 109.667 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.7 -15.32 37.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 118.389 -1.324 . . . . 3.1699999999999999 109.802 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.25 -12.41 59.94 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.312 -0.858 . . . . 2.8100000000000001 108.706 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' B' ' 25' ' ' ASP . . . 146.99 80.93 0.04 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.953 -1.259 . . . . 3.6400000000000001 109.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -43.25 -17.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.251 -0.98 . . . . 4.6699999999999999 111.235 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 23' ' ' GLY . 46.3 m-20 . . . . . 0 C--N 1.295 -1.792 0 CA-C-O 116.349 -1.786 . . . . 6.7300000000000004 110.821 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.892 -1.283 . . . . 2.58 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.573 HG12 HD12 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -90.57 -13.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 120.099 -0.641 . . . . 1.4 109.462 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -71.96 -46.99 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.822 -0.751 . . . . 0.89 111.439 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.34 12.38 0.77 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.867 -1.133 . . . . 2.1 109.936 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' O ' ' O ' ' A' ' 9' ' ' ARG . 3.7 tp10 -110.62 -40.06 4.7 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.171 -1.012 . . . . 2.84 109.024 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.557 ' O ' HG21 ' B' ' 5' ' ' THR . 78.0 m -94.74 -34.68 12.43 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.262 -0.975 . . . . 1.22 110.196 179.799 -63.768 -78.571 96.541 103.561 2.02 104.217 -177.37 86.093 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 t -67.99 -49.98 58.4 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.453 -0.899 . . . . 1.52 108.715 179.914 -165.772 87.993 75.689 104.902 2.024 105.139 -118.129 -33.018 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -54.56 9.75 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 113.92 -1.491 . . . . 2.55 113.487 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -131.69 166.06 30.97 Favored Pre-proline 0 N--CA 1.504 2.265 0 C-N-CA 119.867 -0.733 . . . . 2.48 112.239 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -45.24 168.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.213 1.275 . . . . 1.61 111.325 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' SG ' HD11 ' A' ' 16' ' ' LEU . 1.7 p -178.33 17.14 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.115 -1.809 . . . . 1.38 106.115 -179.802 86.093 -177.37 96.541 104.217 2.02 103.561 -78.571 -63.768 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -37.39 139.69 0.24 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 114.536 -1.211 . . . . 2.06 111.21 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -11.76 -51.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 114.788 1.403 . . . . 1.89 114.788 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.564 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.25 11.68 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 117.671 -1.611 . . . . 2.49 112.006 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 ' H ' ' C ' ' A' ' 13' ' ' VAL . 60.9 t -133.24 -27.37 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 120.235 -0.586 . . . . 1.28 109.443 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.577 HD11 ' SG ' ' A' ' 11' ' ' CYS . 16.6 mt -86.61 -29.45 22.57 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.714 -1.217 . . . . 1.01 107.714 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 17' ' ' LEU . 7.0 mt -59.34 -15.63 17.44 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 113.893 -1.503 . . . . 2.36 108.969 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.85 -14.93 25.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.232 -1.349 . . . . 2.01 111.152 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -72.93 -22.34 60.74 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 118.691 -1.203 . . . . 1.2 110.417 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 116.346 -1.788 . . . . 2.04 110.898 -179.998 -102.094 -111.76 -133.323 104.36 2.021 103.811 74.248 -108.965 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' PCA . . . . . 0.49 ' O ' ' C ' ' B' ' -1' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.547 0.213 . . . . 10.09 111.215 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' -2' ' ' PCA . 0.0 OUTLIER 17.23 70.15 0.2 Allowed Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 124.42 1.075 . . . . 9.24 113.107 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 0' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.69 -147.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.55 1.5 . . . . 4.72 110.206 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.67 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 0.0 OUTLIER -77.62 -31.16 52.66 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.517 -0.873 . . . . 7.45 110.712 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' B' ' 1' ' ' GLN . . . 164.84 124.72 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.899 -0.72 . . . . 4.38 110.716 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.851 ' O ' HG23 ' B' ' 5' ' ' THR . 6.1 p -168.27 -30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 115.051 -0.977 . . . . 2.99 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -40.81 -40.35 1.33 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.402 -1.272 . . . . 3.39 111.782 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.851 HG23 ' O ' ' B' ' 3' ' ' VAL . 72.2 p 43.71 -177.96 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.207 -0.906 . . . . 2.1 111.786 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -129.94 -168.42 1.96 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.65 -0.705 . . . . 1.74 110.175 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.462 ' SG ' ' C ' ' B' ' 6' ' ' TYR . 2.1 m -161.17 110.99 1.66 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.843 -1.143 . . . . 1.69 111.008 -179.999 -33.018 -118.129 75.689 105.139 2.024 104.902 87.993 -165.772 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 10' ' ' HIS . . . 77.22 141.61 1.41 Allowed Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.681 -1.247 . . . . 1.1 110.169 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' B' ' 12' ' ' ALA . 5.2 ttm180 58.49 -72.17 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.309 -0.556 . . . . 2.94 111.52 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 8' ' ' GLY . 21.3 m-70 -46.54 -14.78 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.908 -1.117 . . . . 1.82 110.508 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 2' ' ' ILE . 4.5 mm? -95.25 -27.4 15.52 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.217 -0.993 . . . . 1.54 108.826 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' ARG . . . -76.72 -11.78 59.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 117.885 -1.526 . . . . 1.18 108.564 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -97.02 -24.89 15.58 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.603 -1.18 . . . . 3.25 108.378 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.527 HG22 ' CD1' ' B' ' 18' ' ' LEU . 35.7 m -65.65 -54.77 23.09 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.534 -1.212 . . . . 1.57 111.295 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.2 9.25 1.31 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.859 -1.136 . . . . 1.42 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' B' ' 14' ' ' THR . . . -107.51 -15.14 14.68 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.639 -1.245 . . . . 1.56 107.639 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.13 -24.47 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.795 -1.548 . . . . 2.49 107.955 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.527 ' CD1' HG22 ' B' ' 14' ' ' THR . 11.8 mt -84.54 -51.21 7.06 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.687 -1.205 . . . . 1.82 109.004 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -13.79 6.71 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.588 -1.634 . . . . 2.01 106.588 179.62 -108.965 74.248 -133.323 103.811 2.021 104.36 -111.76 -102.094 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' TRP . . . . . 0.527 ' N ' ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -86.68 -38.05 17.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.042 -1.89 . . . . 3.08 109.667 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.7 -15.32 37.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 118.389 -1.324 . . . . 3.17 109.802 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.25 -12.41 59.94 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.312 -0.858 . . . . 2.81 108.706 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' B' ' 25' ' ' ASP . . . 146.99 80.93 0.04 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.953 -1.259 . . . . 3.64 109.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -43.25 -17.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.251 -0.98 . . . . 4.67 111.235 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 23' ' ' GLY . 46.3 m-20 . . . . . 0 C--N 1.295 -1.792 0 CA-C-O 116.349 -1.786 . . . . 6.73 110.821 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.892 -1.283 . . . . 2.58 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.573 HG12 HD12 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -90.57 -13.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 120.099 -0.641 . . . . 1.4 109.462 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -71.96 -46.99 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.822 -0.751 . . . . 0.89 111.439 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.34 12.38 0.77 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.867 -1.133 . . . . 2.1 109.936 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' O ' ' O ' ' A' ' 9' ' ' ARG . 3.7 tp10 -110.62 -40.06 4.7 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.171 -1.012 . . . . 2.84 109.024 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.557 ' O ' HG21 ' B' ' 5' ' ' THR . 78.0 m -94.74 -34.68 12.43 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.262 -0.975 . . . . 1.22 110.196 179.799 -63.768 -78.571 96.541 103.561 2.02 104.217 -177.37 86.093 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 t -67.99 -49.98 58.4 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.453 -0.899 . . . . 1.52 108.715 179.914 -165.772 87.993 75.689 104.902 2.024 105.139 -118.129 -33.018 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -54.56 9.75 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 113.92 -1.491 . . . . 2.55 113.487 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -131.69 166.06 30.97 Favored Pre-proline 0 N--CA 1.504 2.265 0 C-N-CA 119.867 -0.733 . . . . 2.48 112.239 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -45.24 168.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 121.213 1.275 . . . . 1.61 111.325 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' SG ' HD11 ' A' ' 16' ' ' LEU . 1.7 p -178.33 17.14 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.115 -1.809 . . . . 1.38 106.115 -179.802 86.093 -177.37 96.541 104.217 2.02 103.561 -78.571 -63.768 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -37.39 139.69 0.24 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 114.536 -1.211 . . . . 2.06 111.21 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -11.76 -51.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 114.788 1.403 . . . . 1.89 114.788 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.564 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.25 11.68 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 117.671 -1.611 . . . . 2.49 112.006 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 ' H ' ' C ' ' A' ' 13' ' ' VAL . 60.9 t -133.24 -27.37 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 120.235 -0.586 . . . . 1.28 109.443 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.577 HD11 ' SG ' ' A' ' 11' ' ' CYS . 16.6 mt -86.61 -29.45 22.57 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.714 -1.217 . . . . 1.01 107.714 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 17' ' ' LEU . 7.0 mt -59.34 -15.63 17.44 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 113.893 -1.503 . . . . 2.36 108.969 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.85 -14.93 25.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.232 -1.349 . . . . 2.01 111.152 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -72.93 -22.34 60.74 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 118.691 -1.203 . . . . 1.2 110.417 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 116.346 -1.788 . . . . 2.04 110.898 -179.998 -102.094 -111.76 -133.323 104.36 2.021 103.811 74.248 -108.965 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' PCA . . . . . 0.49 ' O ' ' C ' ' B' ' -1' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.547 0.213 . . . . 10.09 111.215 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' -2' ' ' PCA . 0.0 OUTLIER 17.23 70.15 0.2 Allowed Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 124.42 1.075 . . . . 9.24 113.107 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.69 -147.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.55 1.5 . . . . 4.72 110.206 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.67 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 0.0 OUTLIER -77.62 -31.16 52.66 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.517 -0.873 . . . . 7.45 110.712 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' B' ' 1' ' ' GLN . . . 164.84 124.72 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.899 -0.72 . . . . 4.38 110.716 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.851 ' O ' HG23 ' B' ' 5' ' ' THR . 6.1 p -168.27 -30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 115.051 -0.977 . . . . 2.99 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -40.81 -40.35 1.33 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.402 -1.272 . . . . 3.39 111.782 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.851 HG23 ' O ' ' B' ' 3' ' ' VAL . 72.2 p 43.71 -177.96 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.207 -0.906 . . . . 2.1 111.786 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -129.94 -168.42 1.96 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.65 -0.705 . . . . 1.74 110.175 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.462 ' SG ' ' C ' ' B' ' 6' ' ' TYR . 2.1 m -161.17 110.99 1.66 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.843 -1.143 . . . . 1.69 111.008 -179.999 -33.018 -118.129 75.689 105.139 2.024 104.902 87.993 -165.772 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 10' ' ' HIS . . . 77.22 141.61 1.41 Allowed Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.681 -1.247 . . . . 1.1 110.169 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' B' ' 12' ' ' ALA . 5.2 ttm180 58.49 -72.17 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.309 -0.556 . . . . 2.94 111.52 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' B' ' 8' ' ' GLY . 21.3 m-70 -46.54 -14.78 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.908 -1.117 . . . . 1.82 110.508 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 2' ' ' ILE . 4.5 mm? -95.25 -27.4 15.52 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.217 -0.993 . . . . 1.54 108.826 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' ARG . . . -76.72 -11.78 59.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 117.885 -1.526 . . . . 1.18 108.564 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -97.02 -24.89 15.58 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.603 -1.18 . . . . 3.25 108.378 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.527 HG22 ' CD1' ' B' ' 18' ' ' LEU . 35.7 m -65.65 -54.77 23.09 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.534 -1.212 . . . . 1.57 111.295 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.2 9.25 1.31 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.859 -1.136 . . . . 1.42 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' B' ' 14' ' ' THR . . . -107.51 -15.14 14.68 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.639 -1.245 . . . . 1.56 107.639 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.13 -24.47 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.795 -1.548 . . . . 2.49 107.955 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.527 ' CD1' HG22 ' B' ' 14' ' ' THR . 11.8 mt -84.54 -51.21 7.06 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.687 -1.205 . . . . 1.82 109.004 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -13.79 6.71 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.588 -1.634 . . . . 2.01 106.588 179.62 -108.965 74.248 -133.323 103.811 2.021 104.36 -111.76 -102.094 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' TRP . . . . . 0.527 ' N ' ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -86.68 -38.05 17.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.042 -1.89 . . . . 3.08 109.667 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.7 -15.32 37.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 118.389 -1.324 . . . . 3.17 109.802 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.25 -12.41 59.94 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.312 -0.858 . . . . 2.81 108.706 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' B' ' 25' ' ' ASP . . . 146.99 80.93 0.04 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.953 -1.259 . . . . 3.64 109.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -43.25 -17.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.251 -0.98 . . . . 4.67 111.235 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 23' ' ' GLY . 46.3 m-20 . . . . . 0 C--N 1.295 -1.792 0 CA-C-O 116.349 -1.786 . . . . 6.73 110.821 -179.991 . . . . . . . . 1 1 . 1 stop_ save_