data_1neb_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 1neb _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 6.7000000000000002 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.21 61.88 0.23 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 5.2000000000000002 110.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.3 25.63 22.77 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.541 -1.423 . . . . 3.5600000000000001 109.541 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -57.69 174.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -1.128 . . . . 4.0700000000000003 110.207 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mt -132.73 138.1 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 2.5800000000000001 110.244 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.91 174.6 5.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.254 -0.904 . . . . 1.28 110.14 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.27 138.38 15.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 3.2200000000000002 110.212 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . . . -92.59 137.52 32.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.919 . . . . 0.68000000000000005 110.193 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.466 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 16.6 mtp -116.19 18.8 15.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.229 -0.919 . . . . 2.2799999999999998 110.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 9' ' ' MET . 33.5 m-85 -143.37 130.85 21.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.16 -0.962 . . . . 2.3799999999999999 110.241 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.06 85.63 3.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 2.3399999999999999 109.977 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -83.17 162.65 21.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 2.3399999999999999 110.497 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.07 103.44 6.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 3.2999999999999998 109.912 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.61 117.03 2.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 1.0800000000000001 110.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.98 -23.76 21.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -0.872 . . . . 1.47 110.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.99 -169.8 2.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.218 -0.926 . . . . 2.4199999999999999 110.222 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 21.37 6.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.3500000000000001 110.2 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -31.7 17.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 2.1299999999999999 110.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.08 -168.19 1.89 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.215 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 52' ' ' LEU . 15.4 m -118.75 -158.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.248 -0.908 . . . . 1.4199999999999999 110.199 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -140.82 124.71 17.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 1.6100000000000001 110.486 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 9.3 p90 -142.71 150.23 39.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.25 110.18 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 179.83 4.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.246 -0.909 . . . . 3.25 110.312 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -73.55 118.07 16.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 1.6799999999999999 110.162 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.37 -22.14 9.67 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 0.88 109.597 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.5 154.33 2.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -1.165 . . . . 1.75 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.43 129.01 54.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 1.1899999999999999 110.22 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 HG22 ' A' ' 28' ' ' ILE . 51.9 mt -141.29 170.55 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.73 110.132 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 31' ' ' VAL . 1.6 pt -133.73 157.38 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.922 . . . . 2.7400000000000002 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -85.98 73.83 10.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 5.1399999999999997 110.189 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 29' ' ' ILE . 90.4 t -53.33 -36.25 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 3.3599999999999999 110.189 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' VAL . 1.5 mt-30 -169.05 -175.46 2.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 3.6800000000000002 110.204 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.94 145.88 3.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 2.2200000000000002 110.228 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.2 -73.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.9 . . . . 4.0199999999999996 110.185 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -174.89 -68.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 4.6799999999999997 110.158 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.75 90.83 2.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 5.5899999999999999 110.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.06 90.65 0.08 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.485 -1.446 . . . . 2.2000000000000002 109.485 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.4 m95 53.31 177.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -1.131 . . . . 1.3999999999999999 110.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptp -134.66 -157.86 0.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 2.25 109.961 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' CZ ' HG23 ' A' ' 49' ' ' THR . 43.3 t80 -143.89 123.32 13.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.109 -0.995 . . . . 2.4900000000000002 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.81 172.52 28.95 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.421 -1.472 . . . . 0.70999999999999996 109.421 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -120.6 104.15 9.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -1.162 . . . . 1.22 110.341 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 48' ' ' ARG . 8.6 m -52.14 120.33 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 1.53 110.307 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -79.17 -0.6 32.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.327 -0.858 . . . . 3.0299999999999998 110.744 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -51.01 13.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.987 -1.071 . . . . 3.5899999999999999 109.982 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.2 p -115.5 -18.75 10.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.316 -0.865 . . . . 1.4099999999999999 110.182 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.52 24.58 23.4 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.498 -1.441 . . . . 0.91000000000000003 109.498 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -88.7 124.04 33.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -1.164 . . . . 3.54 110.291 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.412 HG23 ' CZ ' ' A' ' 40' ' ' TYR . 3.6 m -99.32 138.0 37.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.178 -0.951 . . . . 2.0800000000000001 110.248 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.28 47.52 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.558 -1.417 . . . . 0.44 109.558 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.8 mtp -71.59 152.25 43.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.229 -1.16 . . . . 2.3599999999999999 110.162 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD2' HG23 ' A' ' 20' ' ' VAL . 11.3 mt -126.57 151.45 73.05 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.195 -0.94 . . . . 1.6000000000000001 109.779 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.56 109.96 2.96 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.672 1.353 . . . . 0.67000000000000004 110.253 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.9 68.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 1.0900000000000001 110.367 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -81.91 5.11 20.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.214 -0.929 . . . . 2.0800000000000001 110.774 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -119.51 -33.27 4.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 2.1499999999999999 110.214 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.75 163.71 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.237 -0.914 . . . . 0.97999999999999998 110.164 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.57 167.16 29.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 2.1699999999999999 110.265 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.2 166.12 18.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 1.5600000000000001 110.253 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.026 -0.988 . . . . 1.96 110.198 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 6.4299999999999997 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.21 61.88 0.23 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 4.79 110.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.3 25.63 22.77 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.541 -1.423 . . . . 3.02 109.541 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -57.69 174.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -1.128 . . . . 3.6800000000000002 110.207 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mt -132.73 138.1 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 2.1200000000000001 110.244 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.91 174.6 5.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.254 -0.904 . . . . 1.1200000000000001 110.14 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.27 138.38 15.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 2.73 110.212 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 24' ' ' ASP . . . -92.59 137.52 32.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.919 . . . . 0.52000000000000002 110.193 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.466 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 16.6 mtp -116.19 18.8 15.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.229 -0.919 . . . . 1.71 110.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 9' ' ' MET . 33.5 m-85 -143.37 130.85 21.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.16 -0.962 . . . . 1.53 110.241 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.06 85.63 3.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 2.3399999999999999 109.977 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -83.17 162.65 21.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.4399999999999999 110.497 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.07 103.44 6.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 2.7999999999999998 109.912 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' VAL . . . -49.61 117.03 2.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 1.0800000000000001 110.528 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.98 -23.76 21.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -0.872 . . . . 1.0600000000000001 110.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.99 -169.8 2.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.218 -0.926 . . . . 2.4199999999999999 110.222 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 21.37 6.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.21 110.2 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -31.7 17.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 2.1299999999999999 110.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.08 -168.19 1.89 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.215 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.4 m -118.75 -158.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.248 -0.908 . . . . 0.80000000000000004 110.199 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -140.82 124.71 17.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 1.25 110.486 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 9.3 p90 -142.71 150.23 39.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 1.3400000000000001 110.18 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 179.83 4.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.246 -0.909 . . . . 2.7599999999999998 110.312 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 9' ' ' MET . 7.2 t0 -73.55 118.07 16.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 1.6799999999999999 110.162 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.37 -22.14 9.67 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 0.62 109.597 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.5 154.33 2.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -1.165 . . . . 1.75 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.43 129.01 54.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.70999999999999996 110.22 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 29' ' ' ILE . 51.9 mt -141.29 170.55 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.21 110.132 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HG22 ' A' ' 31' ' ' VAL . 1.6 pt -133.73 157.38 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.922 . . . . 2.2200000000000002 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -85.98 73.83 10.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 4.4299999999999997 110.189 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 29' ' ' ILE . 90.4 t -53.33 -36.25 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 2.8700000000000001 110.189 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' VAL . 1.5 mt-30 -169.05 -175.46 2.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 3.3199999999999998 110.204 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.94 145.88 3.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 1.8400000000000001 110.228 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.2 -73.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.9 . . . . 3.5299999999999998 110.185 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -174.89 -68.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 4.6799999999999997 110.158 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.75 90.83 2.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 5.5899999999999999 110.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.06 90.65 0.08 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.485 -1.446 . . . . 2.2000000000000002 109.485 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.4 m95 53.31 177.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -1.131 . . . . 1.01 110.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.401 ' HG3' ' HB2' ' A' ' 52' ' ' LEU . 4.7 ptp -134.66 -157.86 0.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 1.74 109.961 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -143.89 123.32 13.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.109 -0.995 . . . . 2.2999999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.498 ' HA3' HD11 ' A' ' 52' ' ' LEU . . . -148.81 172.52 28.95 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.421 -1.472 . . . . 0.57999999999999996 109.421 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -120.6 104.15 9.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -1.162 . . . . 0.62 110.341 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.6 m -52.14 120.33 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.89000000000000001 110.307 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -79.17 -0.6 32.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.327 -0.858 . . . . 2.4399999999999999 110.744 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -51.01 13.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.987 -1.071 . . . . 2.9900000000000002 109.982 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.2 p -115.5 -18.75 10.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.316 -0.865 . . . . 1.03 110.182 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.52 24.58 23.4 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.498 -1.441 . . . . 0.91000000000000003 109.498 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.866 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -88.7 124.04 33.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -1.164 . . . . 2.9399999999999999 110.291 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -99.32 138.0 37.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.178 -0.951 . . . . 1.6200000000000001 110.248 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA3' HG13 ' A' ' 20' ' ' VAL . . . 179.12 177.28 47.52 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.558 -1.417 . . . . 0.44 109.558 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.534 ' O ' HD23 ' A' ' 52' ' ' LEU . 5.8 mtp -71.59 152.25 43.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.229 -1.16 . . . . 1.71 110.162 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 51' ' ' MET . 11.3 mt -126.57 151.45 73.05 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.195 -0.94 . . . . 0.90000000000000002 109.779 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 57' ' ' VAL . 47.4 Cg_endo -73.56 109.96 2.96 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.672 1.353 . . . . 0.56000000000000005 110.253 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.9 68.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.79000000000000004 110.367 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -81.91 5.11 20.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.214 -0.929 . . . . 1.9399999999999999 110.774 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -119.51 -33.27 4.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 1.3300000000000001 110.214 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 53' ' ' PRO . 33.9 m -100.75 163.71 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.237 -0.914 . . . . 0.58999999999999997 110.164 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.57 167.16 29.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 2.1699999999999999 110.265 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.2 166.12 18.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 1.0600000000000001 110.253 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.026 -0.988 . . . . 1.96 110.198 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 6.4299999999999997 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.21 61.88 0.23 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 4.79 110.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.3 25.63 22.77 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.541 -1.423 . . . . 3.02 109.541 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -57.69 174.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -1.128 . . . . 3.6800000000000002 110.207 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mt -132.73 138.1 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 2.1200000000000001 110.244 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.91 174.6 5.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.254 -0.904 . . . . 1.1200000000000001 110.14 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.27 138.38 15.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 2.73 110.212 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 24' ' ' ASP . . . -92.59 137.52 32.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.919 . . . . 0.52000000000000002 110.193 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.466 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 16.6 mtp -116.19 18.8 15.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.229 -0.919 . . . . 1.71 110.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 9' ' ' MET . 33.5 m-85 -143.37 130.85 21.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.16 -0.962 . . . . 1.53 110.241 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.06 85.63 3.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 2.3399999999999999 109.977 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -83.17 162.65 21.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.4399999999999999 110.497 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.07 103.44 6.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.405 -0.809 . . . . 2.7999999999999998 109.912 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' VAL . . . -49.61 117.03 2.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 1.0800000000000001 110.528 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.98 -23.76 21.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -0.872 . . . . 1.0600000000000001 110.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.99 -169.8 2.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.218 -0.926 . . . . 2.4199999999999999 110.222 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 21.37 6.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.21 110.2 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -31.7 17.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 2.1299999999999999 110.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.08 -168.19 1.89 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.215 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.4 m -118.75 -158.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.248 -0.908 . . . . 0.80000000000000004 110.199 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -140.82 124.71 17.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 1.25 110.486 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 9.3 p90 -142.71 150.23 39.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 1.3400000000000001 110.18 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 179.83 4.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.246 -0.909 . . . . 2.7599999999999998 110.312 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 9' ' ' MET . 7.2 t0 -73.55 118.07 16.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 1.6799999999999999 110.162 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.37 -22.14 9.67 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 0.62 109.597 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.5 154.33 2.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -1.165 . . . . 1.75 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.43 129.01 54.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.70999999999999996 110.22 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 29' ' ' ILE . 51.9 mt -141.29 170.55 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.21 110.132 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HG22 ' A' ' 31' ' ' VAL . 1.6 pt -133.73 157.38 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.922 . . . . 2.2200000000000002 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -85.98 73.83 10.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 4.4299999999999997 110.189 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 29' ' ' ILE . 90.4 t -53.33 -36.25 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 2.8700000000000001 110.189 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' VAL . 1.5 mt-30 -169.05 -175.46 2.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 3.3199999999999998 110.204 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.94 145.88 3.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 1.8400000000000001 110.228 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.2 -73.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.9 . . . . 3.5299999999999998 110.185 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -174.89 -68.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 4.6799999999999997 110.158 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.75 90.83 2.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 5.5899999999999999 110.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.06 90.65 0.08 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.485 -1.446 . . . . 2.2000000000000002 109.485 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.4 m95 53.31 177.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -1.131 . . . . 1.01 110.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.401 ' HG3' ' HB2' ' A' ' 52' ' ' LEU . 4.7 ptp -134.66 -157.86 0.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 1.74 109.961 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -143.89 123.32 13.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.109 -0.995 . . . . 2.2999999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.498 ' HA3' HD11 ' A' ' 52' ' ' LEU . . . -148.81 172.52 28.95 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.421 -1.472 . . . . 0.57999999999999996 109.421 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -120.6 104.15 9.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -1.162 . . . . 0.62 110.341 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.6 m -52.14 120.33 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.89000000000000001 110.307 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -79.17 -0.6 32.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.327 -0.858 . . . . 2.4399999999999999 110.744 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -51.01 13.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.987 -1.071 . . . . 2.9900000000000002 109.982 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.2 p -115.5 -18.75 10.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.316 -0.865 . . . . 1.03 110.182 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.52 24.58 23.4 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.498 -1.441 . . . . 0.91000000000000003 109.498 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.866 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -88.7 124.04 33.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -1.164 . . . . 2.9399999999999999 110.291 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -99.32 138.0 37.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.178 -0.951 . . . . 1.6200000000000001 110.248 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA3' HG13 ' A' ' 20' ' ' VAL . . . 179.12 177.28 47.52 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.558 -1.417 . . . . 0.44 109.558 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.534 ' O ' HD23 ' A' ' 52' ' ' LEU . 5.8 mtp -71.59 152.25 43.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.229 -1.16 . . . . 1.71 110.162 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 51' ' ' MET . 11.3 mt -126.57 151.45 73.05 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.195 -0.94 . . . . 0.90000000000000002 109.779 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 57' ' ' VAL . 47.4 Cg_endo -73.56 109.96 2.96 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.672 1.353 . . . . 0.56000000000000005 110.253 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.9 68.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.79000000000000004 110.367 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -81.91 5.11 20.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.214 -0.929 . . . . 1.9399999999999999 110.774 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -119.51 -33.27 4.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 1.3300000000000001 110.214 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 53' ' ' PRO . 33.9 m -100.75 163.71 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.237 -0.914 . . . . 0.58999999999999997 110.164 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.57 167.16 29.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 2.1699999999999999 110.265 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.2 166.12 18.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 1.0600000000000001 110.253 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.026 -0.988 . . . . 1.96 110.198 -179.968 . . . . . . . . 0 0 . 1 stop_ save_