data_1qtg_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 1qtg _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' ' ' MET . . . . . 1.143 ' CA ' ' HB3' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.299 0.571 . . . . 12.04 110.222 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.268 ' CE ' ' O ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -46.53 -2.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 11.15 110.171 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 1.247 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -156.53 168.05 33.66 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.593 -1.403 . . . . 6.96 109.593 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 1.2 ' N ' ' HE3' ' A' ' 4' ' ' MET . 0.0 OUTLIER 6.62 35.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -1.147 . . . . 8.25 110.267 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 1.247 ' N ' ' O ' ' A' ' 3' ' ' GLY . 2.2 p -62.65 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 5.28 110.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.014 ' HG3' ' C ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -157.37 -87.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 5.9 110.241 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.522 ' C ' ' O ' ' A' ' 6' ' ' LYS . 1.9 ttt -35.6 89.47 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.15 110.132 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.802 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 46.0 Cg_endo -72.79 155.26 53.89 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 124.055 1.555 . . . . 0.73 110.44 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.84 9.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 2.95 110.197 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.79 ' HB2' ' HB2' ' B' ' 10' ' ' PHE . 26.7 t80 -104.07 -44.11 5.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 3.91 110.181 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.593 HD13 ' CD ' ' A' ' 8' ' ' PRO . 61.7 mt -74.42 -14.64 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 1.48 110.179 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.89 -24.66 0.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 2.56 110.03 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -1.04 57.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 3.28 110.133 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.903 ' CD2' ' HD1' ' B' ' 38' ' ' TYR . 34.4 m0 -95.67 151.02 38.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.82 110.136 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.788 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 45.6 Cg_endo -72.99 139.59 30.19 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.971 1.511 . . . . 0.94 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.93 ' CG ' HH11 ' A' ' 16' ' ' ARG . 0.8 OUTLIER -43.2 -29.06 0.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.289 -0.882 . . . . 2.33 110.136 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 5.4 mp0 -55.41 -46.84 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.879 . . . . 2.12 110.194 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.788 ' CG2' ' HG2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -74.17 -73.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.262 -0.899 . . . . 1.37 110.166 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 14' ' ' TRP . 1.7 mp -24.48 -60.12 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.227 -0.92 . . . . 1.94 110.202 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -47.12 -42.99 20.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 1.37 110.226 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD23 ' CD2' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -65.06 -41.45 95.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 2.22 110.201 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.05 -57.18 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.269 -0.894 . . . . 1.32 110.217 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.13 -27.65 9.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 2.18 110.244 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -83.72 -49.3 9.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 2.25 110.231 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.932 HG23 ' NH1' ' B' ' 50' ' ' ARG . 96.3 t -62.55 -19.49 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 1.49 110.178 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.13 -25.11 47.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.346 -0.846 . . . . 1.41 110.232 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.75 -40.92 32.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.304 -0.873 . . . . 2.45 110.24 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.691 ' OE2' ' HA ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.52 -29.08 65.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.3 -0.875 . . . . 1.71 110.206 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.99 -20.55 38.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 1.74 110.261 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 54.57 3.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.602 -1.399 . . . . 1.44 109.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.962 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 4.4 ptp180 -164.4 175.27 10.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -1.184 . . . . 1.72 110.188 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 p -82.32 -174.21 5.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.929 . . . . 1.19 110.206 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.58 -48.32 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 1.46 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' CE2' ' B' ' 10' ' ' PHE . 4.3 t-20 -53.11 -38.08 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 2.08 110.229 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -67.65 -31.67 71.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 1.41 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.962 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 11.7 tp10 -72.6 -41.36 65.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 1.45 110.163 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -67.57 -41.38 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 1.81 110.237 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.906 ' HD1' ' CD2' ' B' ' 14' ' ' TRP . 77.2 t80 -66.33 -40.77 90.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.184 -0.948 . . . . 1.85 110.185 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -64.08 -43.3 95.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 2.17 110.252 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 5.2 mtt180 -73.43 -33.31 64.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 1.5 110.251 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 37' ' ' ILE . 3.2 t -67.98 -33.51 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.156 -0.965 . . . . 1.29 110.199 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.93 -19.81 50.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.908 . . . . 1.74 110.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -46.97 27.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 1.35 110.169 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.863 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 35.9 p -69.26 -16.68 63.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 1.14 110.217 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.72 ' CD2' HD21 ' B' ' 21' ' ' LEU . 4.8 m-30 -80.51 -28.33 37.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 1.15 110.169 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -30.99 65.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.297 -0.877 . . . . 1.95 110.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.863 ' HE3' ' HA ' ' A' ' 44' ' ' SER . 5.8 mttt -68.87 -26.93 65.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.287 -0.883 . . . . 1.7 110.215 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.08 -28.7 27.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 1.85 110.175 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.41 19.31 30.47 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.538 -1.425 . . . . 1.09 109.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.907 HH11 HG23 ' B' ' 25' ' ' VAL . 72.2 mtt180 -86.17 -5.37 59.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -1.141 . . . . 2.23 110.244 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.895 HD11 HD12 ' B' ' 21' ' ' LEU . 1.2 mt -129.93 -27.79 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 2.29 110.115 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.785 ' O ' ' C ' ' A' ' 53' ' ' ALA . . . 59.98 -141.09 47.78 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.476 -1.45 . . . . 2.26 109.476 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.785 ' C ' ' O ' ' A' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.124 -1.221 . . . . 4.5 110.155 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 1.151 ' CA ' ' HB3' ' B' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 12.36 110.228 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 1.302 ' CE ' ' O ' ' B' ' 2' ' ' LYS . 0.4 OUTLIER -46.69 -2.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 11.12 110.169 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 1.256 ' O ' ' N ' ' B' ' 5' ' ' SER . . . -156.6 167.92 33.67 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.57 -1.412 . . . . 6.95 109.57 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 1.185 ' N ' ' HE2' ' B' ' 4' ' ' MET . 0.0 OUTLIER 6.65 35.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -1.18 . . . . 8.15 110.204 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 1.256 ' N ' ' O ' ' B' ' 3' ' ' GLY . 2.2 p -62.97 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 5.16 110.189 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 1.002 ' HZ2' ' N ' ' B' ' 5' ' ' SER . 0.0 OUTLIER -157.29 -87.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -0.953 . . . . 5.76 110.225 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.517 ' C ' ' O ' ' B' ' 6' ' ' LYS . 1.9 ttt -35.48 89.44 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 2.11 110.208 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.782 ' HD3' ' O ' ' B' ' 6' ' ' LYS . 45.4 Cg_endo -72.82 155.41 53.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 O-C-N 123.989 1.521 . . . . 0.74 110.386 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 9.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 2.94 110.151 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 26.5 t80 -104.09 -44.14 5.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.299 -0.876 . . . . 3.9 110.181 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.518 ' HG ' ' HG2' ' B' ' 8' ' ' PRO . 61.4 mt -74.35 -14.7 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 1.44 110.161 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.84 -24.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 2.58 110.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -89.41 -0.98 57.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 3.35 110.137 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.906 ' CD2' ' HD1' ' A' ' 38' ' ' TYR . 34.5 m0 -95.64 151.03 38.23 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.319 -0.863 . . . . 0.76 110.185 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.889 ' HD2' HG22 ' B' ' 18' ' ' VAL . 46.4 Cg_endo -72.93 139.59 30.37 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.004 1.528 . . . . 0.84 110.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.927 ' CG ' HH11 ' B' ' 16' ' ' ARG . 0.8 OUTLIER -43.22 -29.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.31 110.139 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 5.3 mp0 -55.33 -46.8 76.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 2.11 110.238 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.889 HG22 ' HD2' ' B' ' 15' ' ' PRO . 0.2 OUTLIER -74.21 -73.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 1.23 110.178 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.652 ' CD1' ' HB2' ' B' ' 14' ' ' TRP . 1.7 mp -24.47 -60.04 0.05 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 1.81 110.259 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -47.2 -42.94 20.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.84 . . . . 1.27 110.247 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -65.1 -41.37 95.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 2.12 110.196 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.424 ' CG1' HG11 ' B' ' 33' ' ' VAL . 63.9 t -69.1 -57.25 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 1.26 110.159 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.11 -27.63 8.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.162 -0.961 . . . . 2.15 110.187 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.526 ' HE2' ' HB3' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -83.84 -49.17 9.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 2.21 110.185 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.907 HG23 HH11 ' A' ' 50' ' ' ARG . 96.2 t -62.59 -19.48 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.303 -0.873 . . . . 1.53 110.23 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.09 -25.14 47.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 1.32 110.214 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.82 -40.95 31.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 2.39 110.144 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.695 ' OE2' ' HA ' ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.47 -29.13 65.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 1.68 110.142 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.99 -20.71 37.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.7 110.173 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.3 54.63 3.47 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.499 -1.441 . . . . 1.38 109.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.968 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 4.4 ptp180 -164.48 175.22 10.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -1.171 . . . . 1.71 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.4 p -82.27 -174.24 5.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.98 110.222 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.424 HG11 ' CG1' ' B' ' 22' ' ' VAL . 77.8 t -77.58 -48.26 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 1.33 110.169 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.528 ' OD1' ' CE2' ' A' ' 10' ' ' PHE . 4.4 t-20 -53.26 -38.06 62.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.33 -0.856 . . . . 2.09 110.173 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 m -67.68 -31.62 71.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 1.4 110.223 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.968 ' OE1' ' HD2' ' B' ' 31' ' ' ARG . 12.0 tp10 -72.51 -41.37 65.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 1.45 110.206 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.501 HD11 HG22 ' B' ' 37' ' ' ILE . 0.9 OUTLIER -67.63 -41.44 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 1.8 110.175 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . 0.903 ' HD1' ' CD2' ' A' ' 14' ' ' TRP . 77.2 t80 -66.28 -40.75 90.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.87 110.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -64.08 -43.3 95.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 2.15 110.201 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 5.2 mtt180 -73.46 -33.36 64.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.141 -0.974 . . . . 1.48 110.21 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 37' ' ' ILE . 3.2 t -67.99 -33.49 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 1.22 110.226 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.94 -19.76 50.93 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 1.78 110.185 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -46.89 27.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 1.34 110.216 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.829 ' HA ' ' HE3' ' B' ' 47' ' ' LYS . 35.6 p -69.28 -16.66 63.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 1.19 110.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.673 ' CD2' HD23 ' A' ' 21' ' ' LEU . 4.8 m-30 -80.56 -28.17 37.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.13 110.177 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.424 ' NZ ' ' OXT' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -72.43 -31.09 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 1.85 110.22 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . 0.829 ' HE3' ' HA ' ' B' ' 44' ' ' SER . 5.8 mttt -68.81 -26.94 65.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 1.67 110.172 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -84.13 -28.63 27.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.863 . . . . 1.82 110.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.67 19.49 29.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.569 -1.412 . . . . 1.03 109.569 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.932 ' NH1' HG23 ' A' ' 25' ' ' VAL . 73.7 mtt180 -86.78 -4.35 59.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -1.17 . . . . 2.16 110.218 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.631 HG12 HD13 ' A' ' 21' ' ' LEU . 1.2 mt -132.56 -20.32 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 2.37 110.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.765 ' O ' ' C ' ' B' ' 53' ' ' ALA . . . 51.76 -139.17 28.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.533 -1.427 . . . . 2.26 109.533 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.765 ' C ' ' O ' ' B' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.135 -1.215 . . . . 4.5 110.222 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.16 ' CA ' ' HB3' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.299 0.571 . . . . 11.85 110.222 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.268 ' O ' ' CE ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -46.53 -2.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 10.789999999999999 110.171 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 1.247 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -156.53 168.05 33.66 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.593 -1.403 . . . . 6.9299999999999997 109.593 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 1.158 ' HE2' ' N ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 6.62 35.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -1.147 . . . . 7.8300000000000001 110.267 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 1.247 ' N ' ' O ' ' A' ' 3' ' ' GLY . 2.2 p -62.65 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 4.8700000000000001 110.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.001 ' HG3' ' C ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -157.37 -87.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 5.3700000000000001 110.241 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.522 ' C ' ' O ' ' A' ' 6' ' ' LYS . 1.9 ttt -35.6 89.47 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 1.6799999999999999 110.132 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.776 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 46.0 Cg_endo -72.79 155.26 53.89 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 124.055 1.555 . . . . 0.64000000000000001 110.44 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.84 9.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 2.4500000000000002 110.197 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' B' ' 10' ' ' PHE . 26.7 t80 -104.07 -44.11 5.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 3.1499999999999999 110.181 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.648 HD22 ' CE3' ' A' ' 14' ' ' TRP . 61.7 mt -74.42 -14.64 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 0.84999999999999998 110.179 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.89 -24.66 0.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 2.0099999999999998 110.03 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -1.04 57.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 2.6899999999999999 110.133 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.903 ' CD2' ' HD1' ' B' ' 38' ' ' TYR . 34.4 m0 -95.67 151.02 38.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.81999999999999995 110.136 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.79 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 45.6 Cg_endo -72.99 139.59 30.19 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.971 1.511 . . . . 0.90000000000000002 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.945 HH11 ' CG ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -43.2 -29.06 0.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.289 -0.882 . . . . 1.8100000000000001 110.136 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 5.4 mp0 -55.41 -46.84 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.879 . . . . 2.1200000000000001 110.194 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' CG2' ' HG2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -74.17 -73.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.262 -0.899 . . . . 0.80000000000000004 110.166 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 14' ' ' TRP . 1.7 mp -24.48 -60.12 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.227 -0.92 . . . . 1.1799999999999999 110.202 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -47.12 -42.99 20.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 1.3700000000000001 110.226 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -65.06 -41.45 95.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 1.6000000000000001 110.201 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.559 ' CG1' HG13 ' A' ' 33' ' ' VAL . 62.9 t -69.05 -57.18 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.269 -0.894 . . . . 0.81999999999999995 110.217 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.13 -27.65 9.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 1.79 110.244 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -83.72 -49.3 9.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 1.6399999999999999 110.231 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.859 HG22 ' NH1' ' B' ' 50' ' ' ARG . 96.3 t -62.55 -19.49 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.95999999999999996 110.178 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.13 -25.11 47.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.346 -0.846 . . . . 0.91000000000000003 110.232 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.75 -40.92 32.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.304 -0.873 . . . . 2.4500000000000002 110.24 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.669 ' OE2' ' HA ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.52 -29.08 65.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.3 -0.875 . . . . 1.4099999999999999 110.206 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.99 -20.55 38.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 1.74 110.261 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 54.57 3.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.602 -1.399 . . . . 1.4399999999999999 109.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.97 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 4.4 ptp180 -164.4 175.27 10.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -1.184 . . . . 1.3600000000000001 110.188 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 p -82.32 -174.21 5.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.929 . . . . 0.84999999999999998 110.206 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG13 ' CG1' ' A' ' 22' ' ' VAL . 77.1 t -77.58 -48.32 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 0.78000000000000003 110.191 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' CE2' ' B' ' 10' ' ' PHE . 4.3 t-20 -53.11 -38.08 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 2.0800000000000001 110.229 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 8.9 m -67.65 -31.67 71.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.81000000000000005 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.97 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 11.7 tp10 -72.6 -41.36 65.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 1.0900000000000001 110.163 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -41.38 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 110.237 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.906 ' HD1' ' CD2' ' B' ' 14' ' ' TRP . 77.2 t80 -66.33 -40.77 90.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.184 -0.948 . . . . 1.24 110.185 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 14.9 mm100 -64.08 -43.3 95.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 1.8999999999999999 110.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 5.2 mtt180 -73.43 -33.31 64.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 0.81999999999999995 110.251 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.98 -33.51 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.156 -0.965 . . . . 0.58999999999999997 110.199 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.93 -19.81 50.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.908 . . . . 1.2 110.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -46.97 27.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.82999999999999996 110.169 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.825 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 35.9 p -69.26 -16.68 63.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 0.65000000000000002 110.217 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.726 ' CD2' HD22 ' B' ' 21' ' ' LEU . 4.8 m-30 -80.51 -28.33 37.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.93000000000000005 110.169 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -30.99 65.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.297 -0.877 . . . . 1.3899999999999999 110.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.825 ' HE3' ' HA ' ' A' ' 44' ' ' SER . 5.8 mttt -68.87 -26.93 65.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 110.215 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.08 -28.7 27.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 1.3799999999999999 110.175 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.41 19.31 30.47 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.538 -1.425 . . . . 1.0900000000000001 109.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.743 ' NH1' HG22 ' B' ' 25' ' ' VAL . 72.2 mtt180 -86.17 -5.37 59.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -1.141 . . . . 1.53 110.244 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG13 ' HB3' ' A' ' 45' ' ' PHE . 1.2 mt -129.93 -27.79 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 1.72 110.115 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.785 ' O ' ' C ' ' A' ' 53' ' ' ALA . . . 59.98 -141.09 47.78 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.476 -1.45 . . . . 1.8400000000000001 109.476 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.785 ' C ' ' O ' ' A' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.124 -1.221 . . . . 4.5 110.155 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 1.168 ' CA ' ' HB3' ' B' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 11.9 110.228 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 1.302 ' O ' ' CE ' ' B' ' 2' ' ' LYS . 0.4 OUTLIER -46.69 -2.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 10.800000000000001 110.169 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 1.256 ' O ' ' N ' ' B' ' 5' ' ' SER . . . -156.6 167.92 33.67 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.57 -1.412 . . . . 6.9299999999999997 109.57 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . 1.151 ' HE2' ' N ' ' B' ' 4' ' ' MET . 0.0 OUTLIER 6.65 35.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -1.18 . . . . 7.8499999999999996 110.204 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 1.256 ' N ' ' O ' ' B' ' 3' ' ' GLY . 2.2 p -62.97 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 4.8700000000000001 110.189 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.987 ' HG3' ' C ' ' B' ' 5' ' ' SER . 0.0 OUTLIER -157.29 -87.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -0.953 . . . . 5.3600000000000003 110.225 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.517 ' C ' ' O ' ' B' ' 6' ' ' LYS . 1.9 ttt -35.48 89.44 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 1.6599999999999999 110.208 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' B' ' 6' ' ' LYS . 45.4 Cg_endo -72.82 155.41 53.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 O-C-N 123.989 1.521 . . . . 0.64000000000000001 110.386 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 9.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 2.4399999999999999 110.151 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 26.5 t80 -104.09 -44.14 5.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.299 -0.876 . . . . 3.1400000000000001 110.181 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.64 HD12 ' CD ' ' B' ' 8' ' ' PRO . 61.4 mt -74.35 -14.7 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.84999999999999998 110.161 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.84 -24.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 2.02 110.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -89.41 -0.98 57.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 2.7799999999999998 110.137 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.906 ' CD2' ' HD1' ' A' ' 38' ' ' TYR . 34.5 m0 -95.64 151.03 38.23 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.319 -0.863 . . . . 0.76000000000000001 110.185 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.786 ' HG2' ' CG2' ' B' ' 18' ' ' VAL . 46.4 Cg_endo -72.93 139.59 30.37 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.004 1.528 . . . . 0.80000000000000004 110.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.938 HH11 ' CG ' ' B' ' 16' ' ' ARG . 0.8 OUTLIER -43.22 -29.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 1.77 110.139 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 5.3 mp0 -55.33 -46.8 76.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 2.1099999999999999 110.238 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -74.21 -73.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.72999999999999998 110.178 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' B' ' 14' ' ' TRP . 1.7 mp -24.47 -60.04 0.05 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 1.1399999999999999 110.259 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -47.2 -42.94 20.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.84 . . . . 1.27 110.247 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -65.1 -41.37 95.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 1.6000000000000001 110.196 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.562 ' CG1' HG13 ' B' ' 33' ' ' VAL . 63.9 t -69.1 -57.25 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.80000000000000004 110.159 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.11 -27.63 8.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.162 -0.961 . . . . 1.77 110.187 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -83.84 -49.17 9.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 1.6299999999999999 110.185 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.743 HG22 ' NH1' ' A' ' 50' ' ' ARG . 96.2 t -62.59 -19.48 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.303 -0.873 . . . . 0.92000000000000004 110.23 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.09 -25.14 47.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.87 110.214 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.82 -40.95 31.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 2.3900000000000001 110.144 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.667 ' OE2' ' HA ' ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.47 -29.13 65.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 1.3600000000000001 110.142 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.99 -20.71 37.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.7 110.173 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.3 54.63 3.47 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.499 -1.441 . . . . 1.3799999999999999 109.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.97 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 4.4 ptp180 -164.48 175.22 10.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -1.171 . . . . 1.3500000000000001 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.4 p -82.27 -174.24 5.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.80000000000000004 110.222 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.562 HG13 ' CG1' ' B' ' 22' ' ' VAL . 77.8 t -77.58 -48.26 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.75 110.169 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.528 ' OD1' ' CE2' ' A' ' 10' ' ' PHE . 4.4 t-20 -53.26 -38.06 62.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.33 -0.856 . . . . 2.0899999999999999 110.173 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 39' ' ' GLN . 9.0 m -67.68 -31.62 71.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 0.79000000000000004 110.223 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.97 ' OE1' ' HD2' ' B' ' 31' ' ' ARG . 12.0 tp10 -72.51 -41.37 65.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 1.0900000000000001 110.206 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.409 HD12 HG21 ' B' ' 37' ' ' ILE . 0.9 OUTLIER -67.63 -41.44 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 110.175 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TYR . . . . . 0.903 ' HD1' ' CD2' ' A' ' 14' ' ' TRP . 77.2 t80 -66.28 -40.75 90.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.26 110.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 35' ' ' SER . 14.9 mm100 -64.08 -43.3 95.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 1.9099999999999999 110.201 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 5.2 mtt180 -73.46 -33.36 64.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.141 -0.974 . . . . 0.81000000000000005 110.21 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.99 -33.49 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.56000000000000005 110.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.94 -19.76 50.93 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 1.1599999999999999 110.185 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -46.89 27.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 0.81999999999999995 110.216 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.808 ' HA ' ' HE3' ' B' ' 47' ' ' LYS . 35.6 p -69.28 -16.66 63.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.62 110.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.698 ' CD2' HD22 ' A' ' 21' ' ' LEU . 4.8 m-30 -80.56 -28.17 37.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.90000000000000002 110.177 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.424 ' NZ ' ' OXT' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -72.43 -31.09 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 1.3700000000000001 110.22 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.808 ' HE3' ' HA ' ' B' ' 44' ' ' SER . 5.8 mttt -68.81 -26.94 65.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 1.1399999999999999 110.172 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -84.13 -28.63 27.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.863 . . . . 1.3799999999999999 110.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.67 19.49 29.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.569 -1.412 . . . . 1.03 109.569 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.859 ' NH1' HG22 ' A' ' 25' ' ' VAL . 73.7 mtt180 -86.78 -4.35 59.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -1.17 . . . . 1.47 110.218 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.496 HD11 HD13 ' A' ' 21' ' ' LEU . 1.2 mt -132.56 -20.32 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 1.71 110.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.765 ' O ' ' C ' ' B' ' 53' ' ' ALA . . . 51.76 -139.17 28.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.533 -1.427 . . . . 1.8100000000000001 109.533 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.765 ' C ' ' O ' ' B' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.135 -1.215 . . . . 4.5 110.222 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.16 ' CA ' ' HB3' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.299 0.571 . . . . 11.85 110.222 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.268 ' CE ' ' O ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -46.53 -2.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 10.79 110.171 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 1.247 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -156.53 168.05 33.66 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.593 -1.403 . . . . 6.93 109.593 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 1.158 ' HE2' ' N ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 6.62 35.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -1.147 . . . . 7.83 110.267 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 1.247 ' N ' ' O ' ' A' ' 3' ' ' GLY . 2.2 p -62.65 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 4.87 110.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.001 ' HG3' ' C ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -157.37 -87.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 5.37 110.241 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.522 ' C ' ' O ' ' A' ' 6' ' ' LYS . 1.9 ttt -35.6 89.47 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 1.68 110.132 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.776 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 46.0 Cg_endo -72.79 155.26 53.89 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 124.055 1.555 . . . . 0.64 110.44 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.84 9.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 2.45 110.197 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' B' ' 10' ' ' PHE . 26.7 t80 -104.07 -44.11 5.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 3.15 110.181 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.648 HD22 ' CE3' ' A' ' 14' ' ' TRP . 61.7 mt -74.42 -14.64 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 0.85 110.179 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.89 -24.66 0.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 2.01 110.03 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -1.04 57.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 2.69 110.133 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.903 ' CD2' ' HD1' ' B' ' 38' ' ' TYR . 34.4 m0 -95.67 151.02 38.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.82 110.136 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.79 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 45.6 Cg_endo -72.99 139.59 30.19 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.971 1.511 . . . . 0.9 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.945 ' CG ' HH11 ' A' ' 16' ' ' ARG . 0.8 OUTLIER -43.2 -29.06 0.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.289 -0.882 . . . . 1.81 110.136 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 5.4 mp0 -55.41 -46.84 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.879 . . . . 2.12 110.194 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' CG2' ' HG2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -74.17 -73.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.262 -0.899 . . . . 0.8 110.166 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 14' ' ' TRP . 1.7 mp -24.48 -60.12 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.227 -0.92 . . . . 1.18 110.202 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -47.12 -42.99 20.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 1.37 110.226 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -65.06 -41.45 95.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 1.6 110.201 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.559 ' CG1' HG13 ' A' ' 33' ' ' VAL . 62.9 t -69.05 -57.18 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.269 -0.894 . . . . 0.82 110.217 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.13 -27.65 9.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 1.79 110.244 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -83.72 -49.3 9.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 1.64 110.231 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.859 HG22 ' NH1' ' B' ' 50' ' ' ARG . 96.3 t -62.55 -19.49 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -0.893 . . . . 0.96 110.178 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.13 -25.11 47.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.346 -0.846 . . . . 0.91 110.232 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.75 -40.92 32.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.304 -0.873 . . . . 2.45 110.24 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.669 ' OE2' ' HA ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.52 -29.08 65.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.3 -0.875 . . . . 1.41 110.206 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.99 -20.55 38.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 1.74 110.261 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 54.57 3.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.602 -1.399 . . . . 1.44 109.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.97 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 4.4 ptp180 -164.4 175.27 10.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -1.184 . . . . 1.36 110.188 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 p -82.32 -174.21 5.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.929 . . . . 0.85 110.206 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG13 ' CG1' ' A' ' 22' ' ' VAL . 77.1 t -77.58 -48.32 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 0.78 110.191 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' CE2' ' B' ' 10' ' ' PHE . 4.3 t-20 -53.11 -38.08 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 2.08 110.229 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 8.9 m -67.65 -31.67 71.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.81 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.97 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 11.7 tp10 -72.6 -41.36 65.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 1.09 110.163 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -41.38 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 1.14 110.237 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.906 ' HD1' ' CD2' ' B' ' 14' ' ' TRP . 77.2 t80 -66.33 -40.77 90.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.184 -0.948 . . . . 1.24 110.185 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 33.9 mm-40 -64.08 -43.3 95.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 1.9 110.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 5.2 mtt180 -73.43 -33.31 64.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 0.82 110.251 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.98 -33.51 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.156 -0.965 . . . . 0.59 110.199 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.93 -19.81 50.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.908 . . . . 1.2 110.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -46.97 27.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.83 110.169 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.825 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 35.9 p -69.26 -16.68 63.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 0.65 110.217 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.726 ' CD2' HD22 ' B' ' 21' ' ' LEU . 4.8 m-30 -80.51 -28.33 37.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.93 110.169 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -30.99 65.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.297 -0.877 . . . . 1.39 110.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.825 ' HE3' ' HA ' ' A' ' 44' ' ' SER . 5.8 mttt -68.87 -26.93 65.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.287 -0.883 . . . . 1.17 110.215 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.08 -28.7 27.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 1.38 110.175 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.41 19.31 30.47 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.538 -1.425 . . . . 1.09 109.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.743 ' NH1' HG22 ' B' ' 25' ' ' VAL . 72.2 mtt180 -86.17 -5.37 59.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -1.141 . . . . 1.53 110.244 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG13 ' HB3' ' A' ' 45' ' ' PHE . 1.2 mt -129.93 -27.79 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 1.72 110.115 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.785 ' O ' ' C ' ' A' ' 53' ' ' ALA . . . 59.98 -141.09 47.78 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.476 -1.45 . . . . 1.84 109.476 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.785 ' C ' ' O ' ' A' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.124 -1.221 . . . . 4.5 110.155 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 1.168 ' CA ' ' HB3' ' B' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 11.9 110.228 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 1.302 ' CE ' ' O ' ' B' ' 2' ' ' LYS . 0.4 OUTLIER -46.69 -2.86 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 10.8 110.169 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 1.256 ' O ' ' N ' ' B' ' 5' ' ' SER . . . -156.6 167.92 33.67 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.57 -1.412 . . . . 6.93 109.57 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 1.151 ' HE2' ' N ' ' B' ' 4' ' ' MET . 0.0 OUTLIER 6.65 35.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -1.18 . . . . 7.85 110.204 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 1.256 ' N ' ' O ' ' B' ' 3' ' ' GLY . 2.2 p -62.97 60.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 4.87 110.189 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.987 ' HG3' ' C ' ' B' ' 5' ' ' SER . 0.0 OUTLIER -157.29 -87.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.176 -0.953 . . . . 5.36 110.225 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.517 ' C ' ' O ' ' B' ' 6' ' ' LYS . 1.9 ttt -35.48 89.44 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 1.66 110.208 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' B' ' 6' ' ' LYS . 45.4 Cg_endo -72.82 155.41 53.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 O-C-N 123.989 1.521 . . . . 0.64 110.386 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 9.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.926 . . . . 2.44 110.151 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 26.5 t80 -104.09 -44.14 5.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.299 -0.876 . . . . 3.14 110.181 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.64 HD12 ' CD ' ' B' ' 8' ' ' PRO . 61.4 mt -74.35 -14.7 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.85 110.161 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -44.84 -24.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 2.02 110.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -89.41 -0.98 57.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 2.78 110.137 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.906 ' CD2' ' HD1' ' A' ' 38' ' ' TYR . 34.5 m0 -95.64 151.03 38.23 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.319 -0.863 . . . . 0.76 110.185 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.786 ' HG2' ' CG2' ' B' ' 18' ' ' VAL . 46.4 Cg_endo -72.93 139.59 30.37 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.004 1.528 . . . . 0.8 110.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.938 ' CG ' HH11 ' B' ' 16' ' ' ARG . 0.8 OUTLIER -43.22 -29.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 1.77 110.139 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 5.3 mp0 -55.33 -46.8 76.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 2.11 110.238 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -74.21 -73.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.73 110.178 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' B' ' 14' ' ' TRP . 1.7 mp -24.47 -60.04 0.05 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 1.14 110.259 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -47.2 -42.94 20.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.84 . . . . 1.27 110.247 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -65.1 -41.37 95.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 1.6 110.196 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.562 ' CG1' HG13 ' B' ' 33' ' ' VAL . 63.9 t -69.1 -57.25 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.8 110.159 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -51.11 -27.63 8.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.162 -0.961 . . . . 1.77 110.187 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -83.84 -49.17 9.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 1.63 110.185 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.743 HG22 ' NH1' ' A' ' 50' ' ' ARG . 96.2 t -62.59 -19.48 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.303 -0.873 . . . . 0.92 110.23 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.09 -25.14 47.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.87 110.214 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -78.82 -40.95 31.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 2.39 110.144 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.667 ' OE2' ' HA ' ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.47 -29.13 65.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 1.36 110.142 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.99 -20.71 37.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.7 110.173 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.3 54.63 3.47 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.499 -1.441 . . . . 1.38 109.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.97 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 4.4 ptp180 -164.48 175.22 10.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -1.171 . . . . 1.35 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.4 p -82.27 -174.24 5.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.8 110.222 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.562 HG13 ' CG1' ' B' ' 22' ' ' VAL . 77.8 t -77.58 -48.26 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.266 -0.896 . . . . 0.75 110.169 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.528 ' OD1' ' CE2' ' A' ' 10' ' ' PHE . 4.4 t-20 -53.26 -38.06 62.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.33 -0.856 . . . . 2.09 110.173 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 39' ' ' GLN . 9.0 m -67.68 -31.62 71.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 0.79 110.223 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.97 ' OE1' ' HD2' ' B' ' 31' ' ' ARG . 12.0 tp10 -72.51 -41.37 65.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 1.09 110.206 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.409 HD12 HG21 ' B' ' 37' ' ' ILE . 0.9 OUTLIER -67.63 -41.44 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 1.15 110.175 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . 0.903 ' HD1' ' CD2' ' A' ' 14' ' ' TRP . 77.2 t80 -66.28 -40.75 90.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.26 110.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 35' ' ' SER . 34.1 mm-40 -64.08 -43.3 95.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 1.91 110.201 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 5.2 mtt180 -73.46 -33.36 64.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.141 -0.974 . . . . 0.81 110.21 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.99 -33.49 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.56 110.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.94 -19.76 50.93 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 1.16 110.185 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -46.89 27.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 0.82 110.216 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.808 ' HA ' ' HE3' ' B' ' 47' ' ' LYS . 35.6 p -69.28 -16.66 63.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.62 110.264 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.698 ' CD2' HD22 ' A' ' 21' ' ' LEU . 4.8 m-30 -80.56 -28.17 37.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.9 110.177 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.424 ' NZ ' ' OXT' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -72.43 -31.09 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 1.37 110.22 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.808 ' HE3' ' HA ' ' B' ' 44' ' ' SER . 5.8 mttt -68.81 -26.94 65.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 1.14 110.172 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -84.13 -28.63 27.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.863 . . . . 1.38 110.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.67 19.49 29.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.569 -1.412 . . . . 1.03 109.569 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.859 ' NH1' HG22 ' A' ' 25' ' ' VAL . 73.7 mtt180 -86.78 -4.35 59.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -1.17 . . . . 1.47 110.218 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.496 HD11 HD13 ' A' ' 21' ' ' LEU . 1.2 mt -132.56 -20.32 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 1.71 110.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.765 ' O ' ' C ' ' B' ' 53' ' ' ALA . . . 51.76 -139.17 28.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.533 -1.427 . . . . 1.81 109.533 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.765 ' C ' ' O ' ' B' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.135 -1.215 . . . . 4.5 110.222 179.959 . . . . . . . . 1 1 . 1 stop_ save_