data_1ovx_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 1ovx _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 ' 11' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -99.01 140.65 32.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.093 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' H ' HD12 ' A' ' 12' ' ' LEU . 46.7 p90 -87.04 151.37 23.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.043 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 133.64 49.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.912 . . . . 0.0 109.392 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' H ' HG21 ' B' ' 33' ' ' VAL . 55.7 p -63.25 -26.97 69.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CZ ' ' CA ' ' B' ' 30' ' ' GLY . 62.8 m-85 -94.85 -56.88 2.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.42 -0.8 . . . . 0.0 110.208 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' C ' ' H ' ' A' ' 19' ' ' LYS . 12.5 m -74.45 -28.99 61.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.08 9.4 5.69 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 17' ' ' CYS . 77.4 mttt -81.79 154.32 26.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -1.017 . . . . 0.0 109.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.74 ' HG ' ' H ' ' A' ' 23' ' ' GLU . 2.1 p -63.64 162.99 12.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.041 -1.037 . . . . 0.0 109.061 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CE2' ' A' ' 34' ' ' TYR . 40.1 tt0 -59.15 -38.42 79.67 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.319 -0.863 . . . . 0.0 110.187 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -95.12 -14.57 24.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.06 -1.025 . . . . 0.0 110.762 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.74 ' H ' ' HG ' ' A' ' 20' ' ' SER . 86.3 tt0 -60.19 -25.8 65.86 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.931 -1.106 . . . . 0.0 110.288 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.16 153.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.006 -1.059 . . . . 0.0 109.722 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -68.82 -40.86 79.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.423 -0.798 . . . . 0.0 109.596 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.32 125.28 49.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.464 -0.772 . . . . 0.0 109.106 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.27 131.25 34.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -102.42 128.8 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.83 137.27 39.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.147 -0.971 . . . . 0.0 110.116 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' CA ' ' CZ ' ' B' ' 16' ' ' PHE . . . -133.7 155.7 21.9 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.35 -21.91 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.283 1.989 . . . . 0.0 112.319 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.442 ' H ' ' CB ' ' B' ' 15' ' ' SER . 1.0 OUTLIER -160.89 4.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.038 -1.039 . . . . 0.0 110.736 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG21 ' H ' ' B' ' 15' ' ' SER . 98.3 t -127.68 132.41 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.438 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' NE2' ' A' ' 21' ' ' GLN . 80.7 m-85 -125.51 126.26 44.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' CG1' ' SG ' ' A' ' 39' ' ' CYS . 6.2 tt -142.98 149.19 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.957 . . . . 0.0 109.63 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -103.72 -172.82 2.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.034 -1.041 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' OD1' ' OD2' ' A' ' 41' ' ' ASP . 49.6 t0 -74.32 -37.1 63.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.755 -1.216 . . . . 0.0 111.764 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.19 -39.55 94.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.74 -1.225 . . . . 0.0 111.27 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -60.91 -53.57 55.69 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.093 -1.004 . . . . 0.0 110.308 -179.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 5.1 m -69.27 -39.36 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.971 . . . . 0.0 109.883 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' OD1' ' NH2' ' B' ' 48' ' ' ARG . 89.4 m-20 -60.85 -48.11 83.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.615 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.7 -41.19 54.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.917 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 72.9 m -69.43 -44.19 71.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 110.148 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 90.3 m-20 -58.16 -39.54 79.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -0.928 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -63.91 -40.63 96.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.766 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -70.86 -53.43 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.589 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 tt -63.27 -34.4 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.272 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' B' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.93 140.8 32.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.099 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -87.55 151.97 22.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.062 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.415 ' HB3' ' H ' ' B' ' 18' ' ' GLY . 0.5 OUTLIER -68.36 133.66 49.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.442 ' CB ' ' H ' ' A' ' 32' ' ' SER . 60.2 p -63.18 -27.33 69.29 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.424 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 61.0 m-85 -93.72 -60.74 1.69 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.581 -0.699 . . . . 0.0 109.883 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . 0.435 ' C ' ' H ' ' B' ' 19' ' ' LYS . 11.1 m -71.4 -29.58 65.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.452 -0.78 . . . . 0.0 110.663 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' B' ' 14' ' ' CYS . . . 58.24 9.6 6.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 17' ' ' CYS . 77.4 mttt -81.97 154.44 25.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.449 -1.03 . . . . 0.0 109.177 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.762 ' HG ' ' H ' ' B' ' 23' ' ' GLU . 2.1 p -63.57 163.02 11.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.007 -1.058 . . . . 0.0 109.029 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' B' ' 34' ' ' TYR . 40.4 tt0 -59.25 -38.42 80.0 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -95.02 -14.68 24.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.053 -1.029 . . . . 0.0 110.748 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.762 ' H ' ' HG ' ' B' ' 20' ' ' SER . 86.3 tt0 -60.03 -26.75 66.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.0 -1.062 . . . . 0.0 110.27 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.02 147.81 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.999 -1.063 . . . . 0.0 110.269 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -62.3 -42.23 99.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.448 -0.782 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.01 124.58 48.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.421 -0.799 . . . . 0.0 109.378 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' B' ' 28' ' ' ILE . 0.2 OUTLIER -135.55 132.68 37.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.4 -0.813 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' B' ' 27' ' ' LEU . 56.5 mt -103.69 128.8 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.87 137.38 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.162 -0.961 . . . . 0.0 110.108 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -133.75 156.94 22.55 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.46 -21.08 0.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.416 ' H ' ' CB ' ' A' ' 15' ' ' SER . 0.8 OUTLIER -161.42 1.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.933 -1.105 . . . . 0.0 110.614 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.426 HG21 ' H ' ' A' ' 15' ' ' SER . 97.1 t -125.9 131.71 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.134 -0.979 . . . . 0.0 110.642 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' TYR . . . . . 0.51 ' CE2' ' NE2' ' B' ' 21' ' ' GLN . 81.3 m-85 -124.62 125.92 44.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.427 ' CG1' ' SG ' ' B' ' 39' ' ' CYS . 5.8 tt -142.1 149.44 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.724 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.616 ' O ' ' SG ' ' B' ' 39' ' ' CYS . 0.0 OUTLIER -103.5 -173.02 2.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.058 -1.027 . . . . 0.0 109.327 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.485 ' OD1' ' OD2' ' B' ' 41' ' ' ASP . 49.5 t0 -74.21 -37.51 63.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.818 -1.176 . . . . 0.0 111.748 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.83 -39.51 94.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.71 -1.244 . . . . 0.0 111.389 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' B' ' 36' ' ' CYS . 0.1 OUTLIER -60.9 -54.05 49.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 44' ' ' ASN . 4.3 m -68.94 -39.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.888 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 48' ' ' ARG . 89.0 m-20 -60.65 -47.71 85.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.101 -0.999 . . . . 0.0 109.637 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.21 -41.01 50.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.791 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 39' ' ' CYS . 72.7 m -69.49 -44.15 71.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.271 -0.893 . . . . 0.0 110.118 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' B' ' 40' ' ' VAL . 90.4 m-20 -58.32 -39.39 79.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.093 -1.004 . . . . 0.0 109.677 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -63.77 -41.51 97.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.015 -1.053 . . . . 0.0 109.804 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.98 -53.3 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.617 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 tt -63.84 -31.37 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.133 -0.98 . . . . 0.0 110.412 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.588 ' NH2' ' OD1' ' A' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.047 -1.033 . . . . 0.0 109.462 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -99.01 140.65 32.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.093 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.704 ' H ' HD13 ' A' ' 12' ' ' LEU . 46.7 p90 -87.04 151.37 23.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.043 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER -67.62 133.64 49.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.912 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.445 ' CB ' ' H ' ' B' ' 32' ' ' SER . 55.7 p -63.25 -26.97 69.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CZ ' ' CA ' ' B' ' 30' ' ' GLY . 62.8 m-85 -94.85 -56.88 2.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.42 -0.8 . . . . 0.0 110.208 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 12.5 m -74.45 -28.99 61.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.08 9.4 5.69 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 17' ' ' CYS . 77.4 mttt -81.79 154.32 26.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -1.017 . . . . 0.0 109.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -63.64 162.99 12.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.041 -1.037 . . . . 0.0 109.061 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -59.15 -38.42 79.67 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.319 -0.863 . . . . 0.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -95.12 -14.57 24.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.06 -1.025 . . . . 0.0 110.762 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.19 -25.8 65.86 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.931 -1.106 . . . . 0.0 110.288 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.65 ' CG2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -94.16 153.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.006 -1.059 . . . . 0.0 109.722 -179.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -68.82 -40.86 79.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.423 -0.798 . . . . 0.0 109.596 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.32 125.28 49.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.464 -0.772 . . . . 0.0 109.106 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -136.27 131.25 34.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 27' ' ' LEU . 54.6 mt -102.42 128.8 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.83 137.27 39.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.147 -0.971 . . . . 0.0 110.116 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' CA ' ' CZ ' ' B' ' 16' ' ' PHE . . . -133.7 155.7 21.9 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.35 -21.91 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.283 1.989 . . . . 0.0 112.319 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.472 ' H ' ' CB ' ' B' ' 15' ' ' SER . 1.0 OUTLIER -160.89 4.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.038 -1.039 . . . . 0.0 110.736 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.822 HG13 HG13 ' B' ' 33' ' ' VAL . 98.3 t -127.68 132.41 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.438 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -125.51 126.26 44.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' CG1' ' SG ' ' A' ' 39' ' ' CYS . 6.2 tt -142.98 149.19 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.957 . . . . 0.0 109.63 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -103.72 -172.82 2.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.034 -1.041 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' OD1' ' OD2' ' A' ' 41' ' ' ASP . 49.6 t0 -74.32 -37.1 63.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.755 -1.216 . . . . 0.0 111.764 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.19 -39.55 94.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.74 -1.225 . . . . 0.0 111.27 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -60.91 -53.57 55.69 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.093 -1.004 . . . . 0.0 110.308 -179.144 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ASP . 5.1 m -69.27 -39.36 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.971 . . . . 0.0 109.883 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' OD1' ' NH2' ' B' ' 48' ' ' ARG . 89.4 m-20 -60.85 -48.11 83.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.615 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.7 -41.19 54.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.917 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.72 ' HB3' HD13 ' B' ' 28' ' ' ILE . 72.9 m -69.43 -44.19 71.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 110.148 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 90.3 m-20 -58.16 -39.54 79.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -0.928 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -63.91 -40.63 96.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.766 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -70.86 -53.43 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.589 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 tt -63.27 -34.4 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.272 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' B' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.713 HD13 ' H ' ' B' ' 13' ' ' TYR . 0.1 OUTLIER -98.93 140.8 32.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.099 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.713 ' H ' HD13 ' B' ' 12' ' ' LEU . 46.3 p90 -87.55 151.97 22.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' B' ' 18' ' ' GLY . 0.5 OUTLIER -68.36 133.66 49.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.472 ' CB ' ' H ' ' A' ' 32' ' ' SER . 60.2 p -63.18 -27.33 69.29 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.424 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 61.0 m-85 -93.72 -60.74 1.69 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.581 -0.699 . . . . 0.0 109.883 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' B' ' 19' ' ' LYS . 11.1 m -71.4 -29.58 65.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.452 -0.78 . . . . 0.0 110.663 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' B' ' 14' ' ' CYS . . . 58.24 9.6 6.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' B' ' 17' ' ' CYS . 77.4 mttt -81.97 154.44 25.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.449 -1.03 . . . . 0.0 109.177 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -63.57 163.02 11.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.007 -1.058 . . . . 0.0 109.029 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -59.25 -38.42 80.0 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -95.02 -14.68 24.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.053 -1.029 . . . . 0.0 110.748 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -26.75 66.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.0 -1.062 . . . . 0.0 110.27 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.632 ' CG2' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -94.02 147.81 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.999 -1.063 . . . . 0.0 110.269 -179.35 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -62.3 -42.23 99.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.448 -0.782 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.01 124.58 48.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.421 -0.799 . . . . 0.0 109.378 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.721 HD13 ' N ' ' B' ' 28' ' ' ILE . 0.2 OUTLIER -135.55 132.68 37.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.4 -0.813 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.721 ' N ' HD13 ' B' ' 27' ' ' LEU . 56.5 mt -103.69 128.8 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.87 137.38 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.162 -0.961 . . . . 0.0 110.108 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -133.75 156.94 22.55 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.46 -21.08 0.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.445 ' H ' ' CB ' ' A' ' 15' ' ' SER . 0.8 OUTLIER -161.42 1.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.933 -1.105 . . . . 0.0 110.614 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.822 HG13 HG13 ' A' ' 33' ' ' VAL . 97.1 t -125.9 131.71 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.134 -0.979 . . . . 0.0 110.642 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -124.62 125.92 44.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.427 ' CG1' ' SG ' ' B' ' 39' ' ' CYS . 5.8 tt -142.1 149.44 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.724 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.616 ' O ' ' SG ' ' B' ' 39' ' ' CYS . 0.0 OUTLIER -103.5 -173.02 2.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.058 -1.027 . . . . 0.0 109.327 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.485 ' OD1' ' OD2' ' B' ' 41' ' ' ASP . 49.5 t0 -74.21 -37.51 63.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.818 -1.176 . . . . 0.0 111.748 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.83 -39.51 94.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.71 -1.244 . . . . 0.0 111.389 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' B' ' 36' ' ' CYS . 0.1 OUTLIER -60.9 -54.05 49.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 44' ' ' ASN . 4.3 m -68.94 -39.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.888 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 48' ' ' ARG . 89.0 m-20 -60.65 -47.71 85.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.101 -0.999 . . . . 0.0 109.637 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.21 -41.01 50.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.791 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.696 ' HB3' HD13 ' A' ' 28' ' ' ILE . 72.7 m -69.49 -44.15 71.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.271 -0.893 . . . . 0.0 110.118 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' B' ' 40' ' ' VAL . 90.4 m-20 -58.32 -39.39 79.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.093 -1.004 . . . . 0.0 109.677 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -63.77 -41.51 97.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.015 -1.053 . . . . 0.0 109.804 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.98 -53.3 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.617 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 tt -63.84 -31.37 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.133 -0.98 . . . . 0.0 110.412 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.588 ' NH2' ' OD1' ' A' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.047 -1.033 . . . . 0.0 109.462 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 HE22 ' A' ' 21' ' ' GLN . 52.1 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -99.01 140.65 32.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.093 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.704 ' H ' HD13 ' A' ' 12' ' ' LEU . 46.7 p90 -87.04 151.37 23.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.043 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER -67.62 133.64 49.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.912 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.445 ' CB ' ' H ' ' B' ' 32' ' ' SER . 55.7 p -63.25 -26.97 69.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CZ ' ' CA ' ' B' ' 30' ' ' GLY . 62.8 m-85 -94.85 -56.88 2.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.42 -0.8 . . . . 0.0 110.208 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 12.5 m -74.45 -28.99 61.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.08 9.4 5.69 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 17' ' ' CYS . 77.4 mttt -81.79 154.32 26.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -1.017 . . . . 0.0 109.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -63.64 162.99 12.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.041 -1.037 . . . . 0.0 109.061 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CE2' ' A' ' 34' ' ' TYR . 40.1 tt0 -59.15 -38.42 79.67 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.319 -0.863 . . . . 0.0 110.187 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -95.12 -14.57 24.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.06 -1.025 . . . . 0.0 110.762 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.19 -25.8 65.86 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.931 -1.106 . . . . 0.0 110.288 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.65 ' CG2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -94.16 153.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.006 -1.059 . . . . 0.0 109.722 -179.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -68.82 -40.86 79.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.423 -0.798 . . . . 0.0 109.596 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.32 125.28 49.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.464 -0.772 . . . . 0.0 109.106 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -136.27 131.25 34.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 27' ' ' LEU . 54.6 mt -102.42 128.8 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.83 137.27 39.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.147 -0.971 . . . . 0.0 110.116 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' CA ' ' CZ ' ' B' ' 16' ' ' PHE . . . -133.7 155.7 21.9 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.35 -21.91 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.283 1.989 . . . . 0.0 112.319 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.472 ' H ' ' CB ' ' B' ' 15' ' ' SER . 1.0 OUTLIER -160.89 4.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.038 -1.039 . . . . 0.0 110.736 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.822 HG13 HG13 ' B' ' 33' ' ' VAL . 98.3 t -127.68 132.41 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.438 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' NE2' ' A' ' 21' ' ' GLN . 80.7 m-85 -125.51 126.26 44.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' CG1' ' SG ' ' A' ' 39' ' ' CYS . 6.2 tt -142.98 149.19 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.957 . . . . 0.0 109.63 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -103.72 -172.82 2.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.034 -1.041 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' OD1' ' OD2' ' A' ' 41' ' ' ASP . 49.6 t0 -74.32 -37.1 63.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.755 -1.216 . . . . 0.0 111.764 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.19 -39.55 94.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.74 -1.225 . . . . 0.0 111.27 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -60.91 -53.57 55.69 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.093 -1.004 . . . . 0.0 110.308 -179.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ASP . 5.1 m -69.27 -39.36 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.971 . . . . 0.0 109.883 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' OD1' ' NH2' ' B' ' 48' ' ' ARG . 89.4 m-20 -60.85 -48.11 83.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.615 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.7 -41.19 54.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.917 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.72 ' HB3' HD13 ' B' ' 28' ' ' ILE . 72.9 m -69.43 -44.19 71.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 110.148 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 90.3 m-20 -58.16 -39.54 79.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -0.928 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -63.91 -40.63 96.92 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.766 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -70.86 -53.43 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.589 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 tt -63.27 -34.4 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.272 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' B' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.451 HD12 HE22 ' B' ' 21' ' ' GLN . 51.3 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.713 HD13 ' H ' ' B' ' 13' ' ' TYR . 0.1 OUTLIER -98.93 140.8 32.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.099 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.713 ' H ' HD13 ' B' ' 12' ' ' LEU . 46.3 p90 -87.55 151.97 22.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' B' ' 18' ' ' GLY . 0.5 OUTLIER -68.36 133.66 49.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.472 ' CB ' ' H ' ' A' ' 32' ' ' SER . 60.2 p -63.18 -27.33 69.29 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.424 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 61.0 m-85 -93.72 -60.74 1.69 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.581 -0.699 . . . . 0.0 109.883 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' B' ' 19' ' ' LYS . 11.1 m -71.4 -29.58 65.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.452 -0.78 . . . . 0.0 110.663 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' B' ' 14' ' ' CYS . . . 58.24 9.6 6.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' B' ' 17' ' ' CYS . 77.4 mttt -81.97 154.44 25.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.449 -1.03 . . . . 0.0 109.177 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -63.57 163.02 11.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.007 -1.058 . . . . 0.0 109.029 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' B' ' 34' ' ' TYR . 40.4 tt0 -59.25 -38.42 80.0 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -95.02 -14.68 24.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.053 -1.029 . . . . 0.0 110.748 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -26.75 66.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.0 -1.062 . . . . 0.0 110.27 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.632 ' CG2' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -94.02 147.81 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.999 -1.063 . . . . 0.0 110.269 -179.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -62.3 -42.23 99.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.448 -0.782 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -118.01 124.58 48.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.421 -0.799 . . . . 0.0 109.378 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.721 HD13 ' N ' ' B' ' 28' ' ' ILE . 0.2 OUTLIER -135.55 132.68 37.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.4 -0.813 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.721 ' N ' HD13 ' B' ' 27' ' ' LEU . 56.5 mt -103.69 128.8 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.87 137.38 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.162 -0.961 . . . . 0.0 110.108 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -133.75 156.94 22.55 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.46 -21.08 0.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.445 ' H ' ' CB ' ' A' ' 15' ' ' SER . 0.8 OUTLIER -161.42 1.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.933 -1.105 . . . . 0.0 110.614 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.822 HG13 HG13 ' A' ' 33' ' ' VAL . 97.1 t -125.9 131.71 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.134 -0.979 . . . . 0.0 110.642 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' TYR . . . . . 0.51 ' CE2' ' NE2' ' B' ' 21' ' ' GLN . 81.3 m-85 -124.62 125.92 44.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.427 ' CG1' ' SG ' ' B' ' 39' ' ' CYS . 5.8 tt -142.1 149.44 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.724 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.616 ' O ' ' SG ' ' B' ' 39' ' ' CYS . 0.0 OUTLIER -103.5 -173.02 2.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.058 -1.027 . . . . 0.0 109.327 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.485 ' OD1' ' OD2' ' B' ' 41' ' ' ASP . 49.5 t0 -74.21 -37.51 63.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.818 -1.176 . . . . 0.0 111.748 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.83 -39.51 94.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.71 -1.244 . . . . 0.0 111.389 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' B' ' 36' ' ' CYS . 0.1 OUTLIER -60.9 -54.05 49.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 44' ' ' ASN . 4.3 m -68.94 -39.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.888 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 48' ' ' ARG . 89.0 m-20 -60.65 -47.71 85.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.101 -0.999 . . . . 0.0 109.637 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.21 -41.01 50.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.791 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.696 ' HB3' HD13 ' A' ' 28' ' ' ILE . 72.7 m -69.49 -44.15 71.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.271 -0.893 . . . . 0.0 110.118 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' B' ' 40' ' ' VAL . 90.4 m-20 -58.32 -39.39 79.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.093 -1.004 . . . . 0.0 109.677 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -63.77 -41.51 97.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.015 -1.053 . . . . 0.0 109.804 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.98 -53.3 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.617 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 tt -63.84 -31.37 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.133 -0.98 . . . . 0.0 110.412 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.588 ' NH2' ' OD1' ' A' ' 41' ' ' ASP . 97.0 mtt180 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.047 -1.033 . . . . 0.0 109.462 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_