data_1i6f_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 1i6f _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' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 16.8 pttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.245 0.545 . . . . 1.1699999999999999 110.21 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -105.2 156.41 18.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 1.28 110.182 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.6 -171.83 41.64 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.37 109.524 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 26.0 m-85 -108.42 134.38 20.25 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.238 -1.154 . . . . 1.04 110.212 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 40' ' ' CYS . 46.5 Cg_endo -73.18 142.87 34.73 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 123.945 1.497 . . . . 0.53000000000000003 110.445 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 50' ' ' LYS . 10.0 m -117.52 166.71 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 1.24 110.178 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -89.86 -172.82 3.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.939 . . . . 0.87 110.188 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -58.52 -15.32 10.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.306 -0.871 . . . . 1.6499999999999999 110.212 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -92.88 -21.16 20.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 2.9900000000000002 110.202 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.8 21.94 13.23 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.69999999999999996 109.536 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 34.9 m -101.27 138.75 37.88 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -1.133 . . . . 0.62 110.209 179.984 -51.246 -130.238 54.739 104.203 2.02 104.205 115.01 170.716 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -52.63 141.77 19.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.8400000000000001 110.197 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD22 ' OH ' ' A' ' 20' ' ' TYR . 35.3 tp -82.11 110.7 17.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.291 -0.88 . . . . 1.52 110.27 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -58.43 139.89 54.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 1.1699999999999999 110.194 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.83 142.28 51.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.80000000000000004 110.22 -179.962 64.03 87.3 69.115 104.182 2.02 104.179 48.284 177.751 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.08 -13.42 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.206 -0.934 . . . . 1.46 110.19 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.5 153.24 41.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 1.21 110.175 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -70.2 -45.96 65.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.92000000000000004 110.181 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 28.1 p-10 -50.7 -44.27 57.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 1.5800000000000001 110.185 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 3.4 t80 -53.11 -54.48 35.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 2.2200000000000002 110.205 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.6 m -64.32 -41.19 96.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.42999999999999999 110.219 -179.999 -83.804 -63.369 -163.57 104.204 2.02 104.181 51.86 -157.916 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.56 -56.02 8.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.227 -0.921 . . . . 1.25 110.232 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -62.58 -57.73 10.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.908 . . . . 1.8999999999999999 110.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -46.08 -63.57 0.95 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.914 . . . . 1.97 110.213 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 85.1 m -47.33 -52.35 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.37 110.198 179.985 -64.446 -61.739 -60.57 104.177 2.02 104.191 -65.284 -49.067 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -46.42 -51.86 14.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.944 . . . . 3.4199999999999999 110.205 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.4 mtm -57.0 -29.43 63.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 1.8799999999999999 110.219 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.7 mttt -87.99 19.73 3.46 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.88 . . . . 2.1899999999999999 110.221 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.9 tttt 65.58 38.43 5.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 3.2200000000000002 110.181 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . . . -108.61 160.73 15.69 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.05 110.205 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.38 -33.85 5.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -0.918 . . . . 1.99 110.198 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 43' ' ' GLU . . . -108.42 82.59 0.31 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.546 -1.421 . . . . 0.39000000000000001 109.546 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 119.48 6.26 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.518 -1.433 . . . . 0.39000000000000001 109.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -155.82 171.37 20.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -1.188 . . . . 1.5800000000000001 110.234 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.1 t -96.83 127.92 43.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.53000000000000003 110.195 179.988 177.751 48.284 69.115 104.179 2.02 104.182 87.3 64.03 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.48 141.36 27.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.25 -0.906 . . . . 2.5800000000000001 110.206 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' MET . . . 53.98 38.47 28.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 1.24 110.219 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 2.4900000000000002 110.166 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m -131.66 141.58 49.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 1.23 110.163 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 5.1 t -72.21 143.12 48.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.40999999999999998 110.191 -179.998 -157.916 51.86 -163.57 104.181 2.02 104.204 -63.369 -83.804 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.519 ' CD1' ' CZ ' ' A' ' 4' ' ' TYR . 80.4 t80 -140.52 125.81 18.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.274 -0.891 . . . . 0.98999999999999999 110.196 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 25.8 m -111.18 144.3 40.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.27000000000000002 110.226 179.98 -49.067 -65.284 -60.57 104.191 2.02 104.177 -61.739 -64.446 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB3' ' HA3' ' A' ' 32' ' ' GLY . 35.1 tt0 -112.91 108.92 18.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 1.76 110.196 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.42 11.51 6.08 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.505 -1.438 . . . . 0.48999999999999999 109.505 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 42' ' ' CYS . 54.0 mt -57.91 165.58 2.45 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.271 -1.135 . . . . 1.26 110.232 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.457 ' HB2' ' OD1' ' A' ' 48' ' ' ASN . 46.5 Cg_endo -73.06 149.41 46.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 124.025 1.54 . . . . 0.79000000000000004 110.416 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 1' ' ' LYS . 36.2 tt0 -59.98 -14.49 16.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 2.2999999999999998 110.2 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 46' ' ' PRO . 50.5 p30 -112.04 22.93 14.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -0.898 . . . . 2.29 110.229 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.74 158.75 34.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.899 . . . . 1.1499999999999999 110.189 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 tptt -96.73 94.31 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 3.0699999999999998 110.173 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CB ' ' O ' ' A' ' 4' ' ' TYR . 26.8 m -136.75 170.04 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.283 -0.886 . . . . 1.1699999999999999 110.223 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 t -91.22 134.59 34.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 1.1899999999999999 110.22 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 20.4 p-10 -92.04 30.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 1.6100000000000001 110.231 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 p -151.02 131.22 13.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 1.55 110.223 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.12 4.63 14.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 1.8799999999999999 110.21 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.39 66.86 1.53 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 2.8399999999999999 110.192 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.49 165.58 11.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -0.869 . . . . 3.3500000000000001 110.232 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 mp -135.4 108.96 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 4.6900000000000004 110.223 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -81.09 130.42 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.259 -0.9 . . . . 2.0 110.189 -179.998 170.716 115.01 54.739 104.205 2.02 104.203 -130.238 -51.246 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.97 -1.461 . . . . 3.6400000000000001 109.526 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 47' ' ' GLU . 16.8 pttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.245 0.545 . . . . 0.61 110.21 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 43' ' ' GLU . 6.1 m-20 -105.2 156.41 18.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 1.28 110.182 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.6 -171.83 41.64 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.32 109.524 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 26.0 m-85 -108.42 134.38 20.25 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.238 -1.154 . . . . 0.5 110.212 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.561 ' HA ' HG12 ' A' ' 51' ' ' VAL . 46.5 Cg_endo -73.18 142.87 34.73 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 123.945 1.497 . . . . 0.46 110.445 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 50' ' ' LYS . 10.0 m -117.52 166.71 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 0.54 110.178 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -89.86 -172.82 3.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.939 . . . . 0.87 110.188 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -58.52 -15.32 10.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.306 -0.871 . . . . 1.1 110.212 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -92.88 -21.16 20.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 2.57 110.202 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.8 21.94 13.23 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.6 109.536 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 34.9 m -101.27 138.75 37.88 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -1.133 . . . . 0.62 110.209 179.984 -51.246 -130.238 54.739 104.203 2.02 104.205 115.01 170.716 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -52.63 141.77 19.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.29 110.197 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD21 ' OH ' ' A' ' 20' ' ' TYR . 35.3 tp -82.11 110.7 17.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.291 -0.88 . . . . 0.96 110.27 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -58.43 139.89 54.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.79 110.194 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.83 142.28 51.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.63 110.22 -179.962 64.03 87.3 69.115 104.182 2.02 104.179 48.284 177.751 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.08 -13.42 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.206 -0.934 . . . . 0.94 110.19 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.5 153.24 41.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.59 110.175 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -70.2 -45.96 65.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.75 110.181 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 28.1 p-10 -50.7 -44.27 57.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 1.06 110.185 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.539 ' OH ' HD21 ' A' ' 13' ' ' LEU . 3.4 t80 -53.11 -54.48 35.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 1.36 110.205 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.6 m -64.32 -41.19 96.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.43 110.219 -179.999 -83.804 -63.369 -163.57 104.204 2.02 104.181 51.86 -157.916 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.56 -56.02 8.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.227 -0.921 . . . . 1.25 110.232 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -62.58 -57.73 10.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.908 . . . . 1.37 110.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -46.08 -63.57 0.95 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.914 . . . . 1.52 110.213 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 85.1 m -47.33 -52.35 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.37 110.198 179.985 -64.446 -61.739 -60.57 104.177 2.02 104.191 -65.284 -49.067 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -46.42 -51.86 14.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.944 . . . . 2.88 110.205 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.4 mtm -57.0 -29.43 63.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 1.36 110.219 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.7 mttt -87.99 19.73 3.46 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.88 . . . . 1.67 110.221 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.9 tttt 65.58 38.43 5.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 2.63 110.181 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . . . -108.61 160.73 15.69 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.47 110.205 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.38 -33.85 5.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -0.918 . . . . 1.53 110.198 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' A' ' 43' ' ' GLU . . . -108.42 82.59 0.31 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.546 -1.421 . . . . 0.36 109.546 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 119.48 6.26 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.518 -1.433 . . . . 0.39 109.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -155.82 171.37 20.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -1.188 . . . . 0.95 110.234 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.1 t -96.83 127.92 43.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.53 110.195 179.988 177.751 48.284 69.115 104.179 2.02 104.182 87.3 64.03 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.48 141.36 27.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.25 -0.906 . . . . 1.78 110.206 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' MET . . . 53.98 38.47 28.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.54 110.219 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 2.04 110.166 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m -131.66 141.58 49.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.56 110.163 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.489 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 5.1 t -72.21 143.12 48.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.37 110.191 -179.998 -157.916 51.86 -163.57 104.181 2.02 104.204 -63.369 -83.804 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.519 ' CD1' ' CZ ' ' A' ' 4' ' ' TYR . 80.4 t80 -140.52 125.81 18.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.274 -0.891 . . . . 0.67 110.196 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 45' ' ' LEU . 25.8 m -111.18 144.3 40.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.27 110.226 179.98 -49.067 -65.284 -60.57 104.191 2.02 104.177 -61.739 -64.446 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB3' ' HA3' ' A' ' 32' ' ' GLY . 35.1 tt0 -112.91 108.92 18.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 1.76 110.196 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.42 11.51 6.08 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.505 -1.438 . . . . 0.49 109.505 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 42' ' ' CYS . 54.0 mt -57.91 165.58 2.45 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.271 -1.135 . . . . 0.59 110.232 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 46.5 Cg_endo -73.06 149.41 46.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 124.025 1.54 . . . . 0.72 110.416 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 1' ' ' LYS . 36.2 tt0 -59.98 -14.49 16.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 2.3 110.2 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' OD1' ' HB2' ' A' ' 46' ' ' PRO . 50.5 p30 -112.04 22.93 14.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -0.898 . . . . 1.63 110.229 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -73.74 158.75 34.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.899 . . . . 0.61 110.189 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.831 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 tptt -96.73 94.31 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 2.59 110.173 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 5' ' ' PRO . 26.8 m -136.75 170.04 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.283 -0.886 . . . . 0.56 110.223 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 t -91.22 134.59 34.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.79 110.22 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 20.4 p-10 -92.04 30.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 1.61 110.231 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 p -151.02 131.22 13.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 1.02 110.223 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.12 4.63 14.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 1.43 110.21 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.39 66.86 1.53 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 2.26 110.192 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.49 165.58 11.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -0.869 . . . . 2.89 110.232 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 mp -135.4 108.96 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 4.22 110.223 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -81.09 130.42 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.259 -0.9 . . . . 2.0 110.189 -179.998 170.716 115.01 54.739 104.205 2.02 104.203 -130.238 -51.246 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.97 -1.461 . . . . 3.64 109.526 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 47' ' ' GLU . 16.8 pttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.245 0.545 . . . . 0.60999999999999999 110.21 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 43' ' ' GLU . 6.1 m-20 -105.2 156.41 18.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 1.28 110.182 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.6 -171.83 41.64 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.32000000000000001 109.524 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 26.0 m-85 -108.42 134.38 20.25 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.238 -1.154 . . . . 0.5 110.212 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.561 ' HA ' HG12 ' A' ' 51' ' ' VAL . 46.5 Cg_endo -73.18 142.87 34.73 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 123.945 1.497 . . . . 0.46000000000000002 110.445 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 50' ' ' LYS . 10.0 m -117.52 166.71 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 0.54000000000000004 110.178 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -89.86 -172.82 3.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.939 . . . . 0.87 110.188 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -58.52 -15.32 10.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.306 -0.871 . . . . 1.1000000000000001 110.212 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -92.88 -21.16 20.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 2.5699999999999998 110.202 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.8 21.94 13.23 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.59999999999999998 109.536 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 34.9 m -101.27 138.75 37.88 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -1.133 . . . . 0.62 110.209 179.984 -51.246 -130.238 54.739 104.203 2.02 104.205 115.01 170.716 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -52.63 141.77 19.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.29 110.197 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD21 ' OH ' ' A' ' 20' ' ' TYR . 35.3 tp -82.11 110.7 17.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.291 -0.88 . . . . 0.95999999999999996 110.27 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -58.43 139.89 54.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.79000000000000004 110.194 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.83 142.28 51.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.63 110.22 -179.962 64.03 87.3 69.115 104.182 2.02 104.179 48.284 177.751 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.08 -13.42 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.206 -0.934 . . . . 0.93999999999999995 110.19 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.5 153.24 41.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.58999999999999997 110.175 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -70.2 -45.96 65.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.75 110.181 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 28.1 p-10 -50.7 -44.27 57.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 1.0600000000000001 110.185 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.539 ' OH ' HD21 ' A' ' 13' ' ' LEU . 3.4 t80 -53.11 -54.48 35.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 1.3600000000000001 110.205 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.6 m -64.32 -41.19 96.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.42999999999999999 110.219 -179.999 -83.804 -63.369 -163.57 104.204 2.02 104.181 51.86 -157.916 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.56 -56.02 8.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.227 -0.921 . . . . 1.25 110.232 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -62.58 -57.73 10.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.908 . . . . 1.3700000000000001 110.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -46.08 -63.57 0.95 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.914 . . . . 1.52 110.213 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 85.1 m -47.33 -52.35 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.37 110.198 179.985 -64.446 -61.739 -60.57 104.177 2.02 104.191 -65.284 -49.067 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -46.42 -51.86 14.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.944 . . . . 2.8799999999999999 110.205 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.4 mtm -57.0 -29.43 63.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 1.3600000000000001 110.219 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.7 mttt -87.99 19.73 3.46 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.88 . . . . 1.6699999999999999 110.221 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.9 tttt 65.58 38.43 5.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 2.6299999999999999 110.181 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . . . -108.61 160.73 15.69 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.46999999999999997 110.205 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.38 -33.85 5.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -0.918 . . . . 1.53 110.198 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' A' ' 43' ' ' GLU . . . -108.42 82.59 0.31 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.546 -1.421 . . . . 0.35999999999999999 109.546 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 119.48 6.26 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.518 -1.433 . . . . 0.39000000000000001 109.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -155.82 171.37 20.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -1.188 . . . . 0.94999999999999996 110.234 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.1 t -96.83 127.92 43.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.53000000000000003 110.195 179.988 177.751 48.284 69.115 104.179 2.02 104.182 87.3 64.03 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.48 141.36 27.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.25 -0.906 . . . . 1.78 110.206 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' MET . . . 53.98 38.47 28.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.54000000000000004 110.219 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 59.29 14.49 3.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 2.04 110.166 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m -131.66 141.58 49.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.56000000000000005 110.163 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.489 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 5.1 t -72.21 143.12 48.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.37 110.191 -179.998 -157.916 51.86 -163.57 104.181 2.02 104.204 -63.369 -83.804 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.519 ' CD1' ' CZ ' ' A' ' 4' ' ' TYR . 80.4 t80 -140.52 125.81 18.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.274 -0.891 . . . . 0.67000000000000004 110.196 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 45' ' ' LEU . 25.8 m -111.18 144.3 40.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.27000000000000002 110.226 179.98 -49.067 -65.284 -60.57 104.191 2.02 104.177 -61.739 -64.446 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB3' ' HA3' ' A' ' 32' ' ' GLY . 35.1 tt0 -112.91 108.92 18.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 1.76 110.196 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.42 11.51 6.08 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.505 -1.438 . . . . 0.48999999999999999 109.505 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 42' ' ' CYS . 54.0 mt -57.91 165.58 2.45 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.271 -1.135 . . . . 0.58999999999999997 110.232 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 46.5 Cg_endo -73.06 149.41 46.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 124.025 1.54 . . . . 0.71999999999999997 110.416 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 1' ' ' LYS . 36.2 tt0 -59.98 -14.49 16.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 2.2999999999999998 110.2 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' OD1' ' HB2' ' A' ' 46' ' ' PRO . 50.5 p30 -112.04 22.93 14.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -0.898 . . . . 1.6299999999999999 110.229 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -73.74 158.75 34.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.899 . . . . 0.60999999999999999 110.189 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.831 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 tptt -96.73 94.31 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 2.5899999999999999 110.173 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 5' ' ' PRO . 26.8 m -136.75 170.04 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.283 -0.886 . . . . 0.56000000000000005 110.223 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 t -91.22 134.59 34.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.79000000000000004 110.22 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 20.4 p-10 -92.04 30.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 1.6100000000000001 110.231 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 p -151.02 131.22 13.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.277 -0.889 . . . . 1.02 110.223 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.12 4.63 14.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 1.4299999999999999 110.21 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.39 66.86 1.53 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 2.2599999999999998 110.192 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.49 165.58 11.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -0.869 . . . . 2.8900000000000001 110.232 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 mp -135.4 108.96 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 4.2199999999999998 110.223 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -81.09 130.42 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.259 -0.9 . . . . 2.0 110.189 -179.998 170.716 115.01 54.739 104.205 2.02 104.203 -130.238 -51.246 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.97 -1.461 . . . . 3.6400000000000001 109.526 179.959 . . . . . . . . 0 0 . 1 stop_ save_